Combinatorial chemistry
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Combinatorial chemistry allows for the rapid synthesis of large libraries of compounds. It works by synthesizing many structures in parallel rather than one at a time. There are two main approaches: solid phase synthesis which attaches compounds to resin beads to isolate products, and solution phase which synthesizes in solvent. The libraries can be screened to identify active compounds more efficiently than traditional methods. This technique has increased the success of drug discovery by allowing testing of more structures at once.
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Combinatorial chemistry
- 1. COMBINATORIAL CHEMISTRY Name of student : PUJA R. BHALERAO Class : M.Pharm ( Sem-II)
- 2. CONTENT • Definition • Introduction • Principle of Combinatorial Chemistry • Approaches of Combinatorial Chemistry • Combinatorial Library • Types of Combinatorial Library • Methods of Combinatorial Chemistry • Techniques of Combinatorial Chemistry • Advantages of Combinatorial Chemistry
- 3. Definition combinatorial chemistry is a technique by which large number of different but structurally similar molecules are produced rapidly and submitted for pharmacological assay.
- 4. INTRODUCTION It is widely accepted that combinatorial chemistry was born in the early 1980s. By accelerating the process of chemical synthesis, this method is having a profound effect on all branches of chemistry, but especially on drug discovery. Focused on the preparation of chemical libraries for the generation of new lead for drug discovery. To reduce the time and cost associated with producing effective and competitive new drugs.
- 5. PRINCIPLE • The basic principle of combinatorial chemistry is synthesizing large number of different compounds at the same time Instead of synthesizing compounds in a conventional one at a time manner and then to identify the most promising compound for further development.
- 7. Orthodox synthesis: In orthodox synthesis , there is a stepwise-directed synthesis of one specific product using basic fundamentals of organic chemistry. A + B C
- 9. Combinatorial chemistry: In contrast to this approach, combinatorial chemistry offers the potential to make every combination of compound A1 to An with compound B1 to Bn.
- 11. COMBINATORIAL APPROACHES Creating chemical libraries. Identification of active ingredients.
- 12. CHEMICAL LIBRARIES Collection of finally synthesized compounds. These chemical libraries are simple in terms of a series of excessively stored chemicals. Each stored chemical has associated information such as the chemical structure, physiochemical characteristics, purity, quantity of the compound .
- 14. Scaffold-based Libraries Backbone- based Libraries Types of chemical libraries:
- 15. Core-structure, which is common to all compounds of the library. Several single building blocks can consist of Scaffold or by a common backbone. In both case, the accessible dissimilarities of compounds within the library depend on the building blocks which are used for the construction.
- 16. Scaffold libraries: Example- Amino acid and Amino Benzophenone.
- 17. Backbone libraries: Example : Nucleic acid and Carbohydrate.
- 18. METHODS OF COMBINATORIAL SYNTHESIS Solid phase combinatorial chemistry (The compound library have been synthesized on solid phase such as resin bead) Solution phase combinatorial chemistry (The compound library have been synthesized in solvent in the reaction flask)
- 19. Solid phase combinatorial chemistry In solid phase combinatorial chemistry. the starting compound is attached to an insoluble resin bead. Then reagents are added to the solution in excess. And the resulting products can be isolated by simple filtration. Then excess reagent is washed away.
- 20. Solid phase combinatorial chemistry
- 22. • The use of solid support for organic synthesis relies on three interconnected requirements: Polymeric solid support A linker Protecting group
- 24. • Polymeric solid support: the choice of solid support depends on the type of chemistry of reaction. In addition, resin used must be stable under all those reaction conditions.
- 25. • Linker : The linker is the molecule that site between our compound and the solid support . The linker’s role is to keep our compound attached to the solid support during synthesis and allows us to cleave off the final product in a high yield under conditions that do not destroy the product. The best linker must allow attachment and cleavage in quantitative yield.
- 26. • Protecting Group : protecting groups are important for blocking and regenerating certain functional groups in a reaction sequence . TBOC : (tertiarybutyloxy carbonyl) (Fluoromethoxy carbonyl benzyl ester )
- 27. Solution phase combinatorial chemistry Reaction proceeds in Solution. Can be used to produce libraries that consist of single compounds or mixtures. Single compound libraries are prepared using parallel synthesis. Easy characterization of intermediates as well as end product. Standard analytical protocols can be used to characterize products between each reaction step.
- 28. Solution phase combinatorial chemistry
- 30. Techniques of combinatorial chemistry In the process of new drug discovery . Combinatorial chemistry has two basic techniques for creating chemical libraries. Parallel synthesis method Split and mix synthesis method
- 31. Parallel synthesis method: In separate vessels, different compounds are synthesized (without re-mixing). This is not like a split synthesis because it requires a solid support. It can be done without solid support or in a solution. A 96 well micro titer plate is commonly used format for parallel synthesis
- 34. Advantages: •Each compound is substantially „pure“in its location •Defined location provides the structure of a certain compound •Easier biological evaluation
- 35. Split and mix method: The starting material is split in ‘n’ portions. Then reacted with ‘n’ building blocks And recombined in one flask for the second step. This procedure is repeated. This method is particularly employed for solid phase synthesis.
- 37. Advantages: • Method of having choice for large libraries. • Less reaction vessels required.
- 38. Advantages • Rapid synthesis. • Large number: A large diverse chemical library derived from combinatorial synthesis provides a better chance for generating new leads . • Richer data from screening: Medicinal chemists are guided through the optimization process by SAR. • Increased likelihood of success . • Large combinatorial libraries allow researchers to document activity of a large number of compounds.