1) Researchers have created a new online resource called the IUPHAR/MMV Guide to Malaria Pharmacology (GtoMPdb) to curate information on antimalarial compounds and their molecular targets in Plasmodium.
2) The database currently contains 25 Plasmodium molecular targets and 57 antimalarial ligands that were manually curated from scientific literature.
3) A new customized online portal provides open access to the antimalarial data and allows browsing by parasite lifecycle stage, target species, and other features to help malaria research.
The IUPHAR/BPS Guide to PHARMACOLOGY (GtoPdb) is an expert-driven, open database of pharmacological targets and the substances that act on them. It contains information on over 1,800 drug targets and 1,100 related proteins. The database is curated by 500 experts and provides detailed pharmacological data as well as overviews of key properties and ligands. Specialized extensions of GtoPdb include guides to immunopharmacology and malaria pharmacology that connect their fields to drug discovery. The database is continuously updated with new targets, ligands, features and access methods.
Poster presented at the Elixir All-Hands Meeting in Lisbon, June 2019. Gives a broad summary of Guide to Pharmacology activities in the last year. Emphasising new tools and our extension into malaria pharmacology.
Poster on GtoImmuPdb presented at European Congress of Immunology (Amsterdam, Sep 2018). Overview of the main data types and features included in this extension to the IUPHAR/BPS Guide to PHARMACOLOGY
Updated poster following beta v3 release. In preparation for Pharmacology Futures, Edinburgh Immunology Symposium and Word Congress of Pharmacology (Kyoto)
The IUPHAR/MMV Guide to Malaria Pharmacology Chris Southan
This document summarizes the creation of the IUPHAR/MMV Guide to Malaria Pharmacology (GtoMPdb) database by the authors. It captures antimalarial compounds, targets, and their relationships by curating data from publications. The database has adapted the Guide to Pharmacology data model and has begun capturing data on 28 antimalarial ligands. Future plans include expanding the curation, developing an online portal, and submitting data to PubChem to link compounds to publications and make the data more accessible.
1) Researchers have created a new online resource called the IUPHAR/MMV Guide to Malaria Pharmacology (GtoMPdb) to curate information on antimalarial compounds and their molecular targets in Plasmodium.
2) The database currently contains 25 Plasmodium molecular targets and 57 antimalarial ligands that were manually curated from scientific literature.
3) A new customized online portal provides open access to the antimalarial data and allows browsing by parasite lifecycle stage, target species, and other features to help malaria research.
The IUPHAR/BPS Guide to PHARMACOLOGY (GtoPdb) is an expert-driven, open database of pharmacological targets and the substances that act on them. It contains information on over 1,800 drug targets and 1,100 related proteins. The database is curated by 500 experts and provides detailed pharmacological data as well as overviews of key properties and ligands. Specialized extensions of GtoPdb include guides to immunopharmacology and malaria pharmacology that connect their fields to drug discovery. The database is continuously updated with new targets, ligands, features and access methods.
Poster presented at the Elixir All-Hands Meeting in Lisbon, June 2019. Gives a broad summary of Guide to Pharmacology activities in the last year. Emphasising new tools and our extension into malaria pharmacology.
Poster on GtoImmuPdb presented at European Congress of Immunology (Amsterdam, Sep 2018). Overview of the main data types and features included in this extension to the IUPHAR/BPS Guide to PHARMACOLOGY
Updated poster following beta v3 release. In preparation for Pharmacology Futures, Edinburgh Immunology Symposium and Word Congress of Pharmacology (Kyoto)
The IUPHAR/MMV Guide to Malaria Pharmacology Chris Southan
This document summarizes the creation of the IUPHAR/MMV Guide to Malaria Pharmacology (GtoMPdb) database by the authors. It captures antimalarial compounds, targets, and their relationships by curating data from publications. The database has adapted the Guide to Pharmacology data model and has begun capturing data on 28 antimalarial ligands. Future plans include expanding the curation, developing an online portal, and submitting data to PubChem to link compounds to publications and make the data more accessible.
Neglected infectious diseases such as tuberculosis (TB) and malaria kill millions of people annually and the oral drugs used are subject to resistance requiring the urgent development of new therapeutics. Several groups, including pharmaceutical companies, have made large sets of antimalarial screening hit compounds and the associated bioassay data available for the community to learn from and potentially optimize. We have examined both intrinsic and predicted molecular properties across these datasets and compared them with large libraries of compounds screened against Mycobacterium tuberculosis in order to identify any obvious patterns, trends or relationships. One set of antimalarial hits provided by GlaxoSmithKline appears less optimal for lead optimization compared with two other sets of screening hits we examined. Active compounds against both diseases were identified to have larger molecular weight ([similar]350–400) and logP values of [similar]4.0, values that are, in general, distinct from the less active compounds. The antimalarial hits were also filtered with computational rules to identify potentially undesirable substructures. We were surprised that approximately 75–85% of these compounds failed one of the sets of filters that we applied during this work. The level of filter failure was much higher than for FDA approved drugs or a subset of antimalarial drugs. Both antimalarial and antituberculosis drug discovery should likely use simple available approaches to ensure that the hits derived from large scale screening are worth optimizing and do not clearly represent reactive compounds with a higher probability of toxicity in vivo.
Presentation at Advanced Intelligent Systems for Sustainable Development (AISSD 2021) 20-22 August 2021 organized by the scientific research group in Egypt with Collaboration with Faculty of Computers and AI, Cairo University and the Chinese University in Egypt
A Wellcome Trust-funded project to extend the Guide to PHARMACOLOGY (www.guidetopharmacology.org) to include data on key immunological data types and associate these to drugs and drug targets. Presented at the ELIXIR-UK All-Hand Meeting, Edinburgh, Nov 2017.
IUPHAR Guide to IMMUNOPHARMACOLOGY poster. Presented at the BSI Congress 2017, Brighton, UK (6th December 2017) and at Pharmacology 2017, London, UK (13th December 2017.
IUPHAR/BPS Guide to PHARMACOLOGY in 2017: new features and updatesGuide to PHARMACOLOGY
This document summarizes updates to the IUPHAR/BPS Guide to PHARMACOLOGY database. It provides expert curated data on human drug targets and ligands. Recent additions include new target families, ligands, and links to immunopharmacology data. New features include download options, search tools, and organization of ligand families. The database is maintained by an international team and network of scientists and provides a resource for pharmacology education and research.
These slides will be presented at the Pharmacology 2017 meeting in London during the following session:
Abstract Number: OB073
Abstract Title: Capturing new BIA 10-2474 molecular data in the IUPHAR/BPS Guide to PHARMACOLOGY
Date: Wednesday, December 13, 2017, 11:30 AM
Oral Session: Oral Communications: Mixed Tracks
PubChem is a key chemical information resource at the National Center for Biotechnology Information that contains 247.3 million substance descriptions, 96.5 million unique chemical structures, and 237 million bioactivity test results. It organizes data into the Substance, Compound, and BioAssay databases. PubChem provides search and analysis tools for its extensive and growing collection of chemical and biological data.
Therapeutic peptides and their trends in the pharmaceutical market. Peptide drugs generated $25.4 billion in sales in 2018. Phage display technology has produced several FDA-approved antibody drugs. Macrocyclization of peptides discovered by phage display can enhance binding affinity, selectivity, permeability and proteolytic stability. The speaker's lab uses phage display and chemical modification to discover novel peptide ligands for protein targets.
The GtoImmuPdb Portal aims to provide a unique access point for immunological data within the Guide to Pharmacology (GtoPdb) database. It will contain expert-curated immunological information on protein targets and ligands tagged as immunologically relevant. The portal will assist in identifying potential drug targets and experimental molecules for testing, and will link targets and ligands to immunological processes, cell types, and related diseases. A beta version of GtoImmuPdb is scheduled for release in Spring 2017.
Flash poster presentation slide of IUPHAR Guide to PHARMACOLOGY. As presented by Dr. Simon Harding at BPS Pharmacology 2016 @BritPharmSoc @GuidetoPHARM
The IUPHAR/BPS Guide to PHARAMCOLOGY in 2018: new features and updatesGuide to PHARMACOLOGY
2018 update poster for the IUPHAR/BPS Guide to PHARMACOLOGY. Giving details of new features and updates. To be presented at Pharmacology Futures, Edinburgh, May 2018; ELIXIR-All Hands, Berlin, June 2018 and World Congress of Pharmacology, Kyoto, Japan, July 2018
Neglected and rare diseases traditionally have not been the focus of large pharmaceutical company research as biotech and academia have primarily been involved in drug discovery efforts for such diseases. This area certainly represents a new opportunity as the pharmaceutical industry investigates new markets. One approach to speed up drug discovery is to examine new uses for existing approved drugs; this is termed drug repositioning or drug repurposing and has become increasingly popular in recent years. Analysis of the literature reveals that using high-throughput screening there have been many examples of FDA approved drugs found to be active against additional targets that can be used to therapeutic advantage for repositioning for other diseases. To date there are far fewer such examples where in silico approaches have allowed for the derivation of new uses. It is suggested that with current technologies and databases of chemical compounds (drugs) and related data, as well as close integration with in vitro screening data, improved opportunities for drug repurposing will emerge. In this publication a review of the literature will highlight several proof of principle examples from areas such as finding new inhibitors for drug transporters with 3D pharmacophores and uncovering molecules active against Mycobacterium tuberculosis (Mtb) using Bayesian models of compound libraries. Research into neglected or rare/orphan diseases can likely benefit from in silico drug repositioning approaches and accelerate drug discovery for these diseases.
This paper aims to study various strategies adopted by pharmaceutical companies to boost innovation. These strategies are usually overlapping and must not be viewed as watertight initiatives.
The penetration of the aforesaid strategies may differ with each pharma. However, on a superficial level it is safe to say that pharmas will largely look outside its own company for drug innovation and early development requirements. This trend will also be enhanced by the fact that most of the late stage drug candidates have already been licensed, and hence the focus will shift to an early stage. The success of these strategies will depend on how many potential drugs will be approved after clinical trials for commercialization.
Poster titled "The imperative of small, high quality data for underpinning big data: the IUPHAR/BPS Guide to PHARMACOLOGY". Presented by Dr. Christopher Southan, at the British Society of Pharmacology, Institute for Translational Medicine & Therapeutics (ITMAT) Meeting, Edinburgh, March 2017, ‘Big Data & the Development of New Medicines’.
Presented at the Bioinformatics Seminar at the University of Arkansas, Little Rock on November 5, 2021.
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a popular chemical database at the National Library of Medicine, National Institutes of Health. Arguably, PubChem is one of the largest chemical information resources in the public domain, with 111 million unique chemical structures, 1.39 million biological assays, and 292 million biological activity result outcomes. It also contains significant amounts of scientific research data and the inter-relationships between chemicals, proteins, genes, scientific literature, patents, and more. PubChem is a key resource for big data in chemistry and has been used in many studies for developing bioactivity and toxicity prediction models, discovering polypharmacologic (multi-target) ligands, and identifying new macromolecule targets of compounds (for drug-repurposing or off-target side effect prediction). It has also been used for cheminformatics education as well as chemical health and safety training. This presentation provides a high-level overview of PubChem’s data, tools, and services.
North America Toxicology Laboratories Market Analysis | Coherent Market InsightsCoherent Market Insights
The document summarizes a market analysis report on the North America toxicology laboratories market from 2019 to 2027. It finds that the market is estimated to reach $317.1 million by 2027, driven by increasing awareness of conventional toxicology testing and cost-effective methods. However, point-of-care toxicology devices and limited efficacy of conventional techniques may hamper growth. Opportunities exist in increased government testing spending and integrating toxicology results with cloud computing. Major players are focused on expanding services, product launches, and partnerships.
Bioinformatics plays an important role in drug discovery and development by enabling target identification, rational drug design, compound refinement, and other processes. Key applications of bioinformatics include virtual screening of large compound libraries to identify potential drug leads, homology modeling of protein structures to inform drug design, and similarity searches to find analogs of existing drug molecules. The overall drug development process involves studying the disease, identifying drug targets, designing compounds, testing and refining candidates, and conducting clinical trials. Computational techniques expedite many steps but experimental validation is still needed.
High-Throughput Screening Speeds Up Drug Development ProcessDavod Woodmansee
David Woodmansee's research at a pharmaceutical company exposed him to the advantages of high-throughput screening, which allows thousands of substances to be quickly tested to identify potential relationships between medical issues and drug compounds. High-throughput screening enables scientists to rapidly search libraries of hundreds of thousands of compounds and identify links between drugs and medically relevant receptors at a rate of up to 20,000 compounds per week, helping to more quickly advance treatments for patients while also lowering the cost of drug development.
Searching for patent information in PubChem Sunghwan Kim
Presented at the 256th American Chemical Society (ACS) National Meeting in Boston, MA (August 19, 2018).
==== Abstract ====
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a public chemical information resource, containing more than 242 million chemical substance descriptions, 94 million unique compounds, and 234 million bioactivities determined from 1.25 million assay experiments. Importantly, data contribution from multiple sources, including IBM, SureChEMBL, ScripDB, NextMove, and BindingDB, allows PubChem to provide links to patent documents that mention chemicals. Currently, PubChem offers links between about 6.7 million patent documents and more than 20 million unique chemical structures, with over 137 million compound-patent links, covering primarily U.S. patents with some from European, and World Intellectual Property Organization, and Japanese patent documents. This presentation will provide an overview of the patent information in PubChem as well as the best practice for using it.
Guide to PHARMACOLOGY: a web-Based Compendium for Research and EducationChris Southan
This document summarizes a presentation about the IUPHAR/BPS Guide to PHARMACOLOGY (GtoPdb) database. The following key points are made:
- GtoPdb is an online resource containing information on over 8,000 ligands and their interactions with around 1,500 human protein targets. It has been used widely by researchers and educators since 2009.
- The database contains detailed information on drug targets like GPCRs, ion channels, and enzymes. It also provides data on ligands, drugs, interactions between ligands and targets, and related clinical information.
- Users can browse targets and ligands or search the database. Detailed target pages contain pharmacology data, mechanisms, and links
Introduction to the drug discovery processThanh Truong
This document discusses the drug discovery process from target identification through FDA approval. It describes methods used for target identification such as genomics, bioinformatics, and proteomics. The stages of lead identification through high-throughput screening and structure-based drug design are outlined. Key aspects of lead optimization like characterizing potency, efficacy, pharmacokinetics, and toxicity are summarized. Details are provided on preclinical and clinical trial phases from Phase 0 through Phase IV post-marketing surveillance. Factors contributing to the declining drug approval rate like increased safety demands are noted. The high costs and failure rates associated with drug development are highlighted.
Neglected infectious diseases such as tuberculosis (TB) and malaria kill millions of people annually and the oral drugs used are subject to resistance requiring the urgent development of new therapeutics. Several groups, including pharmaceutical companies, have made large sets of antimalarial screening hit compounds and the associated bioassay data available for the community to learn from and potentially optimize. We have examined both intrinsic and predicted molecular properties across these datasets and compared them with large libraries of compounds screened against Mycobacterium tuberculosis in order to identify any obvious patterns, trends or relationships. One set of antimalarial hits provided by GlaxoSmithKline appears less optimal for lead optimization compared with two other sets of screening hits we examined. Active compounds against both diseases were identified to have larger molecular weight ([similar]350–400) and logP values of [similar]4.0, values that are, in general, distinct from the less active compounds. The antimalarial hits were also filtered with computational rules to identify potentially undesirable substructures. We were surprised that approximately 75–85% of these compounds failed one of the sets of filters that we applied during this work. The level of filter failure was much higher than for FDA approved drugs or a subset of antimalarial drugs. Both antimalarial and antituberculosis drug discovery should likely use simple available approaches to ensure that the hits derived from large scale screening are worth optimizing and do not clearly represent reactive compounds with a higher probability of toxicity in vivo.
Presentation at Advanced Intelligent Systems for Sustainable Development (AISSD 2021) 20-22 August 2021 organized by the scientific research group in Egypt with Collaboration with Faculty of Computers and AI, Cairo University and the Chinese University in Egypt
A Wellcome Trust-funded project to extend the Guide to PHARMACOLOGY (www.guidetopharmacology.org) to include data on key immunological data types and associate these to drugs and drug targets. Presented at the ELIXIR-UK All-Hand Meeting, Edinburgh, Nov 2017.
IUPHAR Guide to IMMUNOPHARMACOLOGY poster. Presented at the BSI Congress 2017, Brighton, UK (6th December 2017) and at Pharmacology 2017, London, UK (13th December 2017.
IUPHAR/BPS Guide to PHARMACOLOGY in 2017: new features and updatesGuide to PHARMACOLOGY
This document summarizes updates to the IUPHAR/BPS Guide to PHARMACOLOGY database. It provides expert curated data on human drug targets and ligands. Recent additions include new target families, ligands, and links to immunopharmacology data. New features include download options, search tools, and organization of ligand families. The database is maintained by an international team and network of scientists and provides a resource for pharmacology education and research.
These slides will be presented at the Pharmacology 2017 meeting in London during the following session:
Abstract Number: OB073
Abstract Title: Capturing new BIA 10-2474 molecular data in the IUPHAR/BPS Guide to PHARMACOLOGY
Date: Wednesday, December 13, 2017, 11:30 AM
Oral Session: Oral Communications: Mixed Tracks
PubChem is a key chemical information resource at the National Center for Biotechnology Information that contains 247.3 million substance descriptions, 96.5 million unique chemical structures, and 237 million bioactivity test results. It organizes data into the Substance, Compound, and BioAssay databases. PubChem provides search and analysis tools for its extensive and growing collection of chemical and biological data.
Therapeutic peptides and their trends in the pharmaceutical market. Peptide drugs generated $25.4 billion in sales in 2018. Phage display technology has produced several FDA-approved antibody drugs. Macrocyclization of peptides discovered by phage display can enhance binding affinity, selectivity, permeability and proteolytic stability. The speaker's lab uses phage display and chemical modification to discover novel peptide ligands for protein targets.
The GtoImmuPdb Portal aims to provide a unique access point for immunological data within the Guide to Pharmacology (GtoPdb) database. It will contain expert-curated immunological information on protein targets and ligands tagged as immunologically relevant. The portal will assist in identifying potential drug targets and experimental molecules for testing, and will link targets and ligands to immunological processes, cell types, and related diseases. A beta version of GtoImmuPdb is scheduled for release in Spring 2017.
Flash poster presentation slide of IUPHAR Guide to PHARMACOLOGY. As presented by Dr. Simon Harding at BPS Pharmacology 2016 @BritPharmSoc @GuidetoPHARM
The IUPHAR/BPS Guide to PHARAMCOLOGY in 2018: new features and updatesGuide to PHARMACOLOGY
2018 update poster for the IUPHAR/BPS Guide to PHARMACOLOGY. Giving details of new features and updates. To be presented at Pharmacology Futures, Edinburgh, May 2018; ELIXIR-All Hands, Berlin, June 2018 and World Congress of Pharmacology, Kyoto, Japan, July 2018
Neglected and rare diseases traditionally have not been the focus of large pharmaceutical company research as biotech and academia have primarily been involved in drug discovery efforts for such diseases. This area certainly represents a new opportunity as the pharmaceutical industry investigates new markets. One approach to speed up drug discovery is to examine new uses for existing approved drugs; this is termed drug repositioning or drug repurposing and has become increasingly popular in recent years. Analysis of the literature reveals that using high-throughput screening there have been many examples of FDA approved drugs found to be active against additional targets that can be used to therapeutic advantage for repositioning for other diseases. To date there are far fewer such examples where in silico approaches have allowed for the derivation of new uses. It is suggested that with current technologies and databases of chemical compounds (drugs) and related data, as well as close integration with in vitro screening data, improved opportunities for drug repurposing will emerge. In this publication a review of the literature will highlight several proof of principle examples from areas such as finding new inhibitors for drug transporters with 3D pharmacophores and uncovering molecules active against Mycobacterium tuberculosis (Mtb) using Bayesian models of compound libraries. Research into neglected or rare/orphan diseases can likely benefit from in silico drug repositioning approaches and accelerate drug discovery for these diseases.
This paper aims to study various strategies adopted by pharmaceutical companies to boost innovation. These strategies are usually overlapping and must not be viewed as watertight initiatives.
The penetration of the aforesaid strategies may differ with each pharma. However, on a superficial level it is safe to say that pharmas will largely look outside its own company for drug innovation and early development requirements. This trend will also be enhanced by the fact that most of the late stage drug candidates have already been licensed, and hence the focus will shift to an early stage. The success of these strategies will depend on how many potential drugs will be approved after clinical trials for commercialization.
Poster titled "The imperative of small, high quality data for underpinning big data: the IUPHAR/BPS Guide to PHARMACOLOGY". Presented by Dr. Christopher Southan, at the British Society of Pharmacology, Institute for Translational Medicine & Therapeutics (ITMAT) Meeting, Edinburgh, March 2017, ‘Big Data & the Development of New Medicines’.
Presented at the Bioinformatics Seminar at the University of Arkansas, Little Rock on November 5, 2021.
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a popular chemical database at the National Library of Medicine, National Institutes of Health. Arguably, PubChem is one of the largest chemical information resources in the public domain, with 111 million unique chemical structures, 1.39 million biological assays, and 292 million biological activity result outcomes. It also contains significant amounts of scientific research data and the inter-relationships between chemicals, proteins, genes, scientific literature, patents, and more. PubChem is a key resource for big data in chemistry and has been used in many studies for developing bioactivity and toxicity prediction models, discovering polypharmacologic (multi-target) ligands, and identifying new macromolecule targets of compounds (for drug-repurposing or off-target side effect prediction). It has also been used for cheminformatics education as well as chemical health and safety training. This presentation provides a high-level overview of PubChem’s data, tools, and services.
North America Toxicology Laboratories Market Analysis | Coherent Market InsightsCoherent Market Insights
The document summarizes a market analysis report on the North America toxicology laboratories market from 2019 to 2027. It finds that the market is estimated to reach $317.1 million by 2027, driven by increasing awareness of conventional toxicology testing and cost-effective methods. However, point-of-care toxicology devices and limited efficacy of conventional techniques may hamper growth. Opportunities exist in increased government testing spending and integrating toxicology results with cloud computing. Major players are focused on expanding services, product launches, and partnerships.
Bioinformatics plays an important role in drug discovery and development by enabling target identification, rational drug design, compound refinement, and other processes. Key applications of bioinformatics include virtual screening of large compound libraries to identify potential drug leads, homology modeling of protein structures to inform drug design, and similarity searches to find analogs of existing drug molecules. The overall drug development process involves studying the disease, identifying drug targets, designing compounds, testing and refining candidates, and conducting clinical trials. Computational techniques expedite many steps but experimental validation is still needed.
High-Throughput Screening Speeds Up Drug Development ProcessDavod Woodmansee
David Woodmansee's research at a pharmaceutical company exposed him to the advantages of high-throughput screening, which allows thousands of substances to be quickly tested to identify potential relationships between medical issues and drug compounds. High-throughput screening enables scientists to rapidly search libraries of hundreds of thousands of compounds and identify links between drugs and medically relevant receptors at a rate of up to 20,000 compounds per week, helping to more quickly advance treatments for patients while also lowering the cost of drug development.
Searching for patent information in PubChem Sunghwan Kim
Presented at the 256th American Chemical Society (ACS) National Meeting in Boston, MA (August 19, 2018).
==== Abstract ====
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a public chemical information resource, containing more than 242 million chemical substance descriptions, 94 million unique compounds, and 234 million bioactivities determined from 1.25 million assay experiments. Importantly, data contribution from multiple sources, including IBM, SureChEMBL, ScripDB, NextMove, and BindingDB, allows PubChem to provide links to patent documents that mention chemicals. Currently, PubChem offers links between about 6.7 million patent documents and more than 20 million unique chemical structures, with over 137 million compound-patent links, covering primarily U.S. patents with some from European, and World Intellectual Property Organization, and Japanese patent documents. This presentation will provide an overview of the patent information in PubChem as well as the best practice for using it.
Guide to PHARMACOLOGY: a web-Based Compendium for Research and EducationChris Southan
This document summarizes a presentation about the IUPHAR/BPS Guide to PHARMACOLOGY (GtoPdb) database. The following key points are made:
- GtoPdb is an online resource containing information on over 8,000 ligands and their interactions with around 1,500 human protein targets. It has been used widely by researchers and educators since 2009.
- The database contains detailed information on drug targets like GPCRs, ion channels, and enzymes. It also provides data on ligands, drugs, interactions between ligands and targets, and related clinical information.
- Users can browse targets and ligands or search the database. Detailed target pages contain pharmacology data, mechanisms, and links
Introduction to the drug discovery processThanh Truong
This document discusses the drug discovery process from target identification through FDA approval. It describes methods used for target identification such as genomics, bioinformatics, and proteomics. The stages of lead identification through high-throughput screening and structure-based drug design are outlined. Key aspects of lead optimization like characterizing potency, efficacy, pharmacokinetics, and toxicity are summarized. Details are provided on preclinical and clinical trial phases from Phase 0 through Phase IV post-marketing surveillance. Factors contributing to the declining drug approval rate like increased safety demands are noted. The high costs and failure rates associated with drug development are highlighted.
This document provides an overview of the International Union of Basic and Clinical Pharmacology Guide to Pharmacology (GtoPdb) database. It describes the database contents including over 1,700 drug targets and 9,400 ligands. The database is curated by 500 experts and provides target and ligand information for researchers. Specialized versions of the database have also been created for immunopharmacology and malaria research.
Soal dan Pembahasan Farmakogenomik dan Personalized MedicineNesha Mutiara
Materi farmakologi molekular farmakogenomik dan personalized medicine :
- penjelasan farmakogenomik, farmakogenetik, dan personalized medicine
- mekanisme kerja molekular warfarin dan clopidogrel terkait farmakogenomik
Therapeutic proteins are an important class of drugs, representing about one third of new drug approvals. Various engineering techniques can be used to improve the pharmacokinetic properties of therapeutic proteins, such as fusion proteins, PEGylation, codon optimization, and sequence alterations. Computational drug design techniques are also widely used in China for drug discovery, including molecular docking, virtual screening, target identification, and predicting drug properties. The Hippo signaling pathway regulates organ size and tumorigenesis, and its dysregulation can promote cancer; targeting this pathway may yield new anticancer therapies. Influenza's M2 proton channel is a drug target; while current channel blockers like amantadine face resistance, new inhibitors are being
Therapeutic proteins are an important class of drugs, representing about one third of new drug approvals. Various engineering techniques can be used to improve the pharmacokinetic properties of therapeutic proteins, such as fusion proteins, PEGylation, codon optimization, and sequence alterations. Computational drug design techniques are also widely used in China for drug discovery, including molecular docking, virtual screening, target identification, and predicting drug properties. The Hippo signaling pathway regulates organ size and tumorigenesis, and its dysregulation can promote cancer; targeting this pathway may yield new anticancer therapies. Influenza's M2 proton channel is a drug target; while current channel blockers like amantadine face resistance, new inhibitors are being
Data Mining and Big Data Analytics in Pharma Ankur Khanna
The document proposes software solutions for drug research, including text mining, data warehousing, data mining, database development, and big data analytics. It discusses common challenges in drug research like the high costs and low success rates. It then describes various solutions like text mining patents and research to help identify new research opportunities and reduce duplication of efforts. It provides examples of how various pharmaceutical companies use data mining and warehousing techniques. Overall, the document pitches different IT solutions that can help pharmaceutical and life sciences companies address their research challenges and make their processes more efficient.
Pharmacogenomics is the study of how genes affect individual responses to drugs. It combines pharmacology and genomics to develop safe and effective personalized medications and dosages based on a person's genetic makeup. The goal is to improve treatment outcomes by predicting drug effectiveness and reducing adverse reactions. Challenges include implementing genetic tests in clinical practice and addressing cost, ethical and legal issues. Future applications include developing tailored drugs for many diseases and faster, more targeted clinical trials through biomarkers.
The document discusses efforts by the National Institutes of Health (NIH) and Food and Drug Administration (FDA) to advance personalized medicine through several initiatives:
1. Developing a more integrated pathway to connect target identification by researchers to drug approval to help fill the void of insufficient private sector interest in most new targets.
2. The TRND program will help accelerate development of drugs for rare and neglected diseases by funding preclinical development.
3. The FDA is developing standards to incorporate genetic information into drug and device development and using biomarkers to evaluate therapies through its Critical Path Initiative.
This document presents the study protocol for a randomized clinical trial evaluating the efficacy and safety of adding metformin to standard antituberculosis treatment regimens. The trial aims to determine if metformin can help achieve sputum culture conversion faster when added to initial treatment for drug-sensitive pulmonary tuberculosis. Over 300 participants with newly diagnosed, smear-positive pulmonary TB will be randomized to receive either standard antituberculosis treatment or the same treatment plus metformin for the first two months. The primary outcome is time to sputum culture conversion, with secondary outcomes including time to detection of TB in culture, pharmacokinetic measures, safety, and immune responses. The results could provide evidence for a shorter, more effective TB treatment regimen.
The document is an assignment on drug discovery and development submitted by Mary Melna to Prof. N.S. Harinarayan. It contains definitions of key terms like drug and the drug discovery and development processes. It then discusses the history of drug discovery from the 1920s onwards and timelines for drug discovery, development and FDA review. The rest of the document outlines various methods of drug discovery like serendipity, screening and molecular design. It also discusses processes like target selection, lead discovery, medicinal chemistry, in vitro and in vivo studies, and clinical trials.
Adverse drug reaction, pharmacovigilance, spontaneous ADR monitoring, Good Pharmacovigilance Practices, drug safety, patient safety, an overview of regulatory guidelines, medicine safety, medical regulations.
Identifying candidate antimalarial compounds by searching for molecular mimet...Reis Fitzsimmons
The objective is to use a KNIME workflow to determine promising antimalarial drug target candidates from a list of 284 compounds by comparing them to endogenous malaria parasite metabolites. The author collected metabolite data from databases and analyzed chemical similarity between the compounds and metabolites using the ECFP4 fingerprint and Tanimoto coefficient in KNIME. Initial results analyzing over 4,998 general metabolites and 250,642 malaria metabolites found no compounds with high chemical similarity. Statistical analysis revealed the malaria metabolite molecular weights were similarly distributed to the antimalarial compounds, despite low chemical similarity. Further analysis of millions more parasite-specific metabolites may be needed to find optimal drug targets interacting with malaria metabolic pathways.
PHARMACOVIGILANCE_SLIDE. Insight to pharmacovigilance, covering basics and va...ssharmapharmacy005
Insight to pharmacovigilance,
covering basics and various aspects, case processing types of ADR, basic terminologies
adr reporting dverse vent, types of adr, meddra
1. The document outlines various approaches to drug discovery including pharmacological, toxicological, Investigational New Drug (IND) application, drug characterization, and dosage form development.
2. It describes the pharmacological approach which involves identifying molecular targets and establishing modulation for therapeutic intervention through small molecules or antibodies. Preclinical studies and lead optimization are also discussed.
3. The toxicological approach discussed includes performing safety studies in multiple species to determine toxicity profiles and therapeutic indexes to inform initial human clinical trials. Various 'omics' technologies are also described for evaluating toxicity mechanisms.
4. The IND application process and requirements are summarized, including preclinical data, manufacturing information, investigator qualifications, clinical trial protocols, and other commitments necessary for approval
In vivo is the Latin word which means with in the living body.
When effects of various biological entities are tested on whole, living organism or cells, usually animals including humans and plants.
Animal testing and clinical trials are major elements of in-vivo research.
In vivo testing is often employed over in vitro because it is better suited for observing the overall effects of an experiment on a living subject in drug discovery.
example, verification of efficacy in vivo is crucial, because in vitro assays can sometimes yield misleading results with drug.
Harry Smith found that sterile filtrates of serum from animals infected with Bacillus anthracis were lethal for other animals, whereas extracts of culture fluid from the same organism grown in vitro were not.
In microbiology Once cells are disrupted and individual parts are tested or analyzed, this is known as in vitro.
In vitro studies within the glass, i.e., in a laboratory environment using test tubes, petri dishes, etc. Examples of investigations in vivo include: the pathogenesis of disease.
In vitro toxicology:-
The bridge exists between new drug discovery and drug development.-
Provide information on mechanism of action of a drug
Provides an early indication of the potential for some kinds of toxic effects, allowing a decision to terminate or to proceed further.
In vitro methods are widely used for:-
Screening and ranking chemicals
Get a platform for animal studies for physiological actions
Studying cell, tissue, or target specific effects
Improve subsequent study design
Advantages and Disadvantages:-
Faster than in vivo studies
Less expensive to run
Less predictive of toxicity in intact organisms
In vitro to in vivo extrapolation (IVIVE) refers to the qualitative or quantitative transposition of experimental results or observations made in vitro to predict phenomena in vivo, biological organisms.
The problem of transposing in vitro results is particularly acute in areas such as toxicology where animal experiments are being phased out and are increasingly being replaced by alternative tests.
Results obtained from in vitro experiments cannot often be directly applied to predict biological responses of organisms to chemical exposure in vivo.
Therefore, it is extremely important to build a consistent and reliable in vitro to in vivo extrapolation method.
Two solutions are now commonly accepted:
Increasing the complexity of in vitro systems where multiple cells can interact with each other in order recapitulate cell-cell interactions present in tissues (as in "human on chip" systems).
Using mathematical modeling to numerically simulate the behavior of a complex system, whereby in vitro data provides the parameter values for developing a model.
The two approaches can be applied simultaneously allowing in vitro systems to provide adequate data for the development of mathematical models. To comply with push for the development of alternative testing methods.
PRINCIPLES OF DRUG DISCOVERY & DEVELOPMENT.pptxDharaMehta45
The document provides an overview of the principles of drug discovery and development. It discusses the various phases including target identification and validation, hit identification and validation, lead selection and profiling, and pre-clinical and clinical development. The target identification process involves techniques like molecular biology, genetics, and data mining to identify potential biological targets. High-throughput screening is used to test large libraries of compounds to identify initial hits which are then optimized into drug candidates or leads through techniques such as medicinal chemistry and structure-activity relationships. The overall process takes 13-15 years and over $2 billion from initial drug discovery to regulatory approval and market launch.
This document provides information about Anthony Crasto, a Glenmark scientist based in Navi Mumbai, India. It summarizes that he runs several free websites that provide drug and pharmaceutical information which have received millions of hits on Google. These websites help track new drugs worldwide and provide free advertising to help millions. Despite facing personal challenges with his son's health issues, Crasto's vast readership from academia and industry motivates him to continue his work through these websites.
DDS personalised medicines M.Pharma 1st Sem Pharmaceutics.pptxkushaltegginamani18
The document discusses personalized medicines and customized drug delivery systems. It defines personalized medicine as using genetic profiling and other individual patient characteristics to guide medical treatment. Customized drug delivery systems aim to optimize drug therapy for each patient by controlling dosage and delivery through technologies like bioelectronic medicines, 3D printing of pharmaceuticals, and telepharmacy.
Similar to IUPHAR/MMV Guide to Malaria Pharmacology (20)
Presentation by Dr. Elena Faccenda on the IUPHAR/BPS Guide to Immunopharmacology at the 39° Congresso Nazionale della Società Italiana di Farmacologia in Florence, Nov 2019
This document discusses the IUPHAR/BPS Guide to Pharmacology database and related resources. It provides open access information on pharmacological targets and the substances that act on them. It includes over 1,700 human drug targets, 9,700 ligands including 1,300 approved drugs. Related databases include the Guide to Immunopharmacology and Guide to Malaria Pharmacology. The databases are regularly updated and include links to other resources to enable interoperability.
The document provides an overview and progress report on database activities from April 2018 - March 2019. Key points include:
- Publications in peer-reviewed journals on the database and new immunopharmacology guide.
- Engagement through conferences, social media, and interactions with users seeking to improve the database.
- Ongoing development of the database interface and content, including expansion to new therapeutic areas.
- Statistics on usage, file downloads, and web service calls that show increasing interaction over time.
Dr. Simon D. Harding of the University of Edinburgh created a knowledge-base that connects immunology and pharmacology. The knowledge-base links immunological targets and ligands to cell types and diseases. It is part of the IUPHAR/BPS Guide to Pharmacology, an open database of drug targets and ligands including approved drugs. A new search tool allows searching of pharmacological information. Dr. Harding also aims to curate data on antimalarial compounds and their molecular targets in Plasmodium through the IUPHAR/MMV Guide to Malaria Pharmacology.
The document summarizes recent updates to the IUPHAR/BPS Guide to PHARMACOLOGY database. It describes new features including expanded target coverage with over 1,700 drug targets and 1,100 related proteins. A new Pharmacology Search Tool allows users to upload protein lists and find associated ligands. The database also now connects immunopharmacology by associating targets with immune processes, cell types, and diseases. Additionally, the guide describes collaborations to include antimalarial compound data and develop an IUPHAR/MMV Guide to Malaria Pharmacology.
The IUPHAR/BPS Guide to PHARMACOLOGY (GtoPdb) is an open, expert-driven database that contains information on over 1,700 pharmacological targets and the substances that act on them. The database provides overviews and detailed information on targets that is manually curated from literature and reviewed by experts. It aims to cover human drug targets and potential future therapeutic targets. New features of the database include search tools to find targets and ligands, information on diseases associated with targets and ligands, organization of ligand families, and comparison of ligand activity across species. The database content is available to download in various formats and its interoperability has been increased through developing an RDF version and submitting data to other sources
The document provides an overview and status report of the Core Guide to PHARMACOLOGY (GtoPdb) database. It discusses recent publications from the team, compliance with new GDPR privacy regulations, website access statistics showing increased usage, new website features, and priorities for further development such as expanding disease and content coverage.
The document provides a status report on the Guide to Immunopharmacology database (GtoImmuPdb). It discusses developments including the addition of disease data, graphical browsing of cell type data, and process data. The database is in beta version 3 and undergoing user testing. Over 500 targets and 1,000 ligands have been curated from the literature. On the curation side, efforts are focused on expanding the literature collection and annotating new targets and ligands. The database is preparing for its official launch in October 2018.
This comprehensive slide deck is provided for use by those who are teaching and presenting on the IUPHAR/BPS Guide to PHARMACOLOGY. Includes:
- Overview of NC-IUPHAR
- Background to GtoPdb
- Screenshots of the website and search tools
- Recent content expansions
- Other features and initiatives including the Guide to IMMUNOPHARMACOLOGY
This slide set updates the previous set from 2014/15 available at https://www.slideshare.net/GuidetoPHARM/iupharbps-guide-to-pharmacology-generic-slideset
Navigating links between structures and papers:
PubMed-to-PubChem connectivity between the IUPHAR/BPS Guide to PHARMACOLOGY and British Journal of Pharmacology
A poster presented at Pharmacology 2017, London, December 2017
A general poster about the IUPHAR/BPS Guide to PHARMACOLOGY, updated for 2017. This works well used as a handout or pinned on departmental noticeboards.
This document describes updates to the Guide to PHARMACOLOGY (GtoPdb) database in 2017, including new features such as:
1) Organization of drug targets into families and subclasses for easier browsing, and organization of ligands into related families and groups.
2) Ability to visualize ligand binding affinities across species through activity graphs.
3) SynPHARM database for finding ligand binding sequences that can be engineered into synthetic proteins.
4) Expanded content with over 1,700 drug targets, 9,000 ligands, and options to search or download data in various formats.
(First slide is recording of webinar). IUPHAR Web Resources, Simplifying Complexity for Medicine and Education. WDS Webinar#11 held on 28th February 2017.
IUPHAR (International Union of Basic and Clinical Pharmacology) has developed and is developing a series of web-based services for the Pharmacological Sciences, for education, and for drug discovery. These services enable the simplification and dissemination of highly complex datasets, via expert committees linked to ontologically-correct databases (e.g., the drug and receptor sites expressed by the human genome). This has also allowed IUPHAR—in connection with the main national pharmacological societies, particularly the British Pharmacological Society—to raise funds for curators and meetings. This simple model is open-ended and is being expanded to, for example, immunological targets and experimental protocols, and to educational projects.
Speakers: Michael Spedding, Adam Pawson, Steve Alexander, Joanna Sharman, Simon Harding, Jamie Davies, John Szarek and Lynn LeCount
Microbial interaction
Microorganisms interacts with each other and can be physically associated with another organisms in a variety of ways.
One organism can be located on the surface of another organism as an ectobiont or located within another organism as endobiont.
Microbial interaction may be positive such as mutualism, proto-cooperation, commensalism or may be negative such as parasitism, predation or competition
Types of microbial interaction
Positive interaction: mutualism, proto-cooperation, commensalism
Negative interaction: Ammensalism (antagonism), parasitism, predation, competition
I. Mutualism:
It is defined as the relationship in which each organism in interaction gets benefits from association. It is an obligatory relationship in which mutualist and host are metabolically dependent on each other.
Mutualistic relationship is very specific where one member of association cannot be replaced by another species.
Mutualism require close physical contact between interacting organisms.
Relationship of mutualism allows organisms to exist in habitat that could not occupied by either species alone.
Mutualistic relationship between organisms allows them to act as a single organism.
Examples of mutualism:
i. Lichens:
Lichens are excellent example of mutualism.
They are the association of specific fungi and certain genus of algae. In lichen, fungal partner is called mycobiont and algal partner is called
II. Syntrophism:
It is an association in which the growth of one organism either depends on or improved by the substrate provided by another organism.
In syntrophism both organism in association gets benefits.
Compound A
Utilized by population 1
Compound B
Utilized by population 2
Compound C
utilized by both Population 1+2
Products
In this theoretical example of syntrophism, population 1 is able to utilize and metabolize compound A, forming compound B but cannot metabolize beyond compound B without co-operation of population 2. Population 2is unable to utilize compound A but it can metabolize compound B forming compound C. Then both population 1 and 2 are able to carry out metabolic reaction which leads to formation of end product that neither population could produce alone.
Examples of syntrophism:
i. Methanogenic ecosystem in sludge digester
Methane produced by methanogenic bacteria depends upon interspecies hydrogen transfer by other fermentative bacteria.
Anaerobic fermentative bacteria generate CO2 and H2 utilizing carbohydrates which is then utilized by methanogenic bacteria (Methanobacter) to produce methane.
ii. Lactobacillus arobinosus and Enterococcus faecalis:
In the minimal media, Lactobacillus arobinosus and Enterococcus faecalis are able to grow together but not alone.
The synergistic relationship between E. faecalis and L. arobinosus occurs in which E. faecalis require folic acid
Evaluation and Identification of J'BaFofi the Giant Spider of Congo and Moke...MrSproy
ABSTRACT
The J'BaFofi, or "Giant Spider," is a mainly legendary arachnid by reportedly inhabiting the dense rain forests of
the Congo. As despite numerous anecdotal accounts and cultural references, the scientific validation remains more elusive.
My study aims to proper evaluate the existence of the J'BaFofi through the analysis of historical reports,indigenous
testimonies and modern exploration efforts.
Mechanics:- Simple and Compound PendulumPravinHudge1
a compound pendulum is a physical system with a more complex structure than a simple pendulum, incorporating its mass distribution and dimensions into its oscillatory motion around a fixed axis. Understanding its dynamics involves principles of rotational mechanics and the interplay between gravitational potential energy and kinetic energy. Compound pendulums are used in various scientific and engineering applications, such as seismology for measuring earthquakes, in clocks to maintain accurate timekeeping, and in mechanical systems to study oscillatory motion dynamics.
Dr. Firoozeh Kashani-Sabet is an innovator in Middle Eastern Studies and approaches her work, particularly focused on Iran, with a depth and commitment that has resulted in multiple book publications. She is notable for her work with the University of Pennsylvania, where she serves as the Walter H. Annenberg Professor of History.
This presentation offers a general idea of the structure of seed, seed production, management of seeds and its allied technologies. It also offers the concept of gene erosion and the practices used to control it. Nursery and gardening have been widely explored along with their importance in the related domain.
Order : Trombidiformes (Acarina) Class : Arachnida
Mites normally feed on the undersurface of the leaves but the symptoms are more easily seen on the uppersurface.
Tetranychids produce blotching (Spots) on the leaf-surface.
Tarsonemids and Eriophyids produce distortion (twist), puckering (Folds) or stunting (Short) of leaves.
Eriophyids produce distinct galls or blisters (fluid-filled sac in the outer layer)
Continuing with the partner Introduction, Tampere University has another group operating at the INSIGHT project! Meet members of the Industrial Engineering and Management Unit - Aki, Jaakko, Olga, and Vilma!
BIRDS DIVERSITY OF SOOTEA BISWANATH ASSAM.ppt.pptxgoluk9330
Ahota Beel, nestled in Sootea Biswanath Assam , is celebrated for its extraordinary diversity of bird species. This wetland sanctuary supports a myriad of avian residents and migrants alike. Visitors can admire the elegant flights of migratory species such as the Northern Pintail and Eurasian Wigeon, alongside resident birds including the Asian Openbill and Pheasant-tailed Jacana. With its tranquil scenery and varied habitats, Ahota Beel offers a perfect haven for birdwatchers to appreciate and study the vibrant birdlife that thrives in this natural refuge.
BIRDS DIVERSITY OF SOOTEA BISWANATH ASSAM.ppt.pptx
IUPHAR/MMV Guide to Malaria Pharmacology
1. J. F. Armstrong1, E. Faccenda1, A. J. Pawson1 , C. Southan1, S. D. Harding1, J. L. Sharman1, F. J. Gamo2,3, S. A. Ward4, B. Campo2,
S.P.H. Alexander5, A.P. Davenport6, M. Spedding7, J. A. Davies1.
Introduction
Malaria is a major global health challenge with a disproportionate impact on resource-limited countries. In 2017, there were an estimated 219 million cases
of the disease leading to 435,000 deaths worldwide, with over 90% of these cases occurring in the WHO Africa Region1. In the last decade there has been
a dramatic improvement in the drug discovery pipeline for antimalarial medicines leading to an expansion of the global portfolio2.
The IUPHAR/BPS Guide to Pharmacology (GtoPdb) has focused hitherto on the pharmacology and immunopharmacology associated with human non-
infectious diseases3. We have recently been funded by Medicines for Malaria Venture (MMV) to curate antimalarial compounds and their Plasmodium
molecular targets and to provide a new portal to the existing GtoPdb that is optimized for the malaria research community.
The new resource, the IUPHAR/MMV Guide to Malaria Pharmacology (GtoMPdb), will be freely available, richly annotated and regularly updated.
1Centre for Discovery Brain Sciences, Deanery of Biomedical Sciences, University of Edinburgh, UK. 2 Medicines for Malaria Venture, ICC, 20 Route de Pré-Bois, PO Box 1826, 1215, Geneva, Switzerland. 3Tres Cantos
Medicines Development Campus-Diseases of the Developing World, GlaxoSmithKline, Tres Cantos, 28760, Madrid, Spain. 4Centre for Drugs and Diagnostic Research, Liverpool School of Tropical Medicine, UK. 5School of
Life Sciences, University of Nottingham Medical School, UK. 6Experimental Medicine and Immunotherapeutics, University of Cambridge, UK. 7Spedding Research Solutions SAS, Le Vésinet 78110, France.
Introducing a new resource: the capture of drugs, leads and
targets in the IUPHAR/MMV Guide to MALARIA PHARMACOLOGY
Methods
The literature is mined to collect papers reporting antimalarial compounds.
For database entries, papers are selected for expert curation when they
have:
• An explicit chemical structure
• Quantitative potency for antimalarial activity in vitro
• Activity data (where possible) against a purified Plasmodium target
• in vivo and/or clinical data
We map chemical structures to PubChem Compound Identifiers (CIDs) and
assign UniProt IDs to evidence-supported Plasmodium target proteins.
We have adapted our existing curational process to extract data required to
fully describe the activity and target interactions of antimalarial compounds
including: Plasmodium lifecycle activity of a compound and details of the
Plasmodium species and isolate strain used during in vitro screening4,5. In
addition a new “whole organism” assay type has been introduced to capture
data from the whole cell assays used routinely in antimalarial drug
discovery.
GtoMPdb Data
An initial set of antimalarial ligands and targets has been curated and is
available in the GtoPdb (2018.4 release): these are accommodated within
GtoPdb under a new classification of “Antimalarial ligands” (Ligands tab)
and “Antimalarial targets” (Other protein targets tab).
Targets: our intial curation effort includes nine Plasmodium molecular
targets. Defining exact target sequences from information given by authors
has proved difficult because less than 10% of Plasmodium proteins have
been fully annotated by Swiss-Prot.
Ligands: we use PubChem to resolve the structure of ligands curated
from the literature. The internal entry for DSM421 below includes PDB link
(right).
Conclusions
• We have successfully curated antimalarial mechanistic relationships
into GtoMPdb
• Continued curation will expand the number of available ligands and
targets and will be guided by our IUPHAR/MMV expert advisory
committee
• The new portal will provide the malaria research community with lead
structures, target sequences and efficacy data integrated across global
efforts
• Easy access and downloads will support chemical vendor matching,
cross-screening for mechanistic investigations, target deconvolution,
protein structure connectivity and homology-based cross-screening
against other apicomplexan parasites
Our submitted structures are retrievable via "guide to malaria
pharmacology“ as a PubChem Substance (SID) query. From our 40 SIDs
below:
• 32 have active results in
PubChem Bioassay
• 37 have patent matches
• 31 have vendor matches
• One is unique to GtoPdb
(ligand 10016; compound
55 [PMID: 29889526])
• 19 are tagged as
“antimalarial” via other
sources
• 18 are approved drugs
• The entries are linked to
108 PubMed papers
• The structures are fully
searchable in PubChem
GtoMPdb Portal
References
1. World Malaria Report 2018, https://www.who.int/malaria/publications/world-malaria-report-2018/en/
2. MMV-supported projects, https://www.mmv.org/research-development/mmv-supported-projects
3. Harding SD, et al. (2018), Nucl. Acids Res. 46 (Issue D1): D1091-D1106, PMID: 29149325
4. Southan C, et al. (2018), ACS Omega 3(7), PMID: 30087946
5. www.slideshare.net/cdsouthan/the-iupharmmv-guide-to-malaria-pharmacology-103311134
Supported by:
Public beta-release of GtoMPdb portal planned for January 2019
toprovidetailoredroutesintobrowsingthe
antimalarialdata.
The GtoMPdb portal
homepage has been
designed to provide
tailored routes into
browsing the
antimalarial data
toprovidetailoredroutesintobrowsingthe
antimalarialdata.
We have developed
customised views of
the data that include
parasite lifecycle
stage (an example
page shown here)
and target species
activity