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1 © Patrick An Introduction to Medicinal Chemistry 3/e Chapter 9 DRUG DISCOVERY: FINDING A LEAD Part 4: (Lead compounds - Impact of the human genome project)

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Presentation on theme: "1 © Patrick An Introduction to Medicinal Chemistry 3/e Chapter 9 DRUG DISCOVERY: FINDING A LEAD Part 4: (Lead compounds - Impact of the human genome project)"— Presentation transcript:

1 1 © Patrick An Introduction to Medicinal Chemistry 3/e Chapter 9 DRUG DISCOVERY: FINDING A LEAD Part 4: (Lead compounds - Impact of the human genome project)

2 1 © Contents Part 4: Lead compounds - Impact of the human genome project 4.5. Lead Compounds - Impact of the human genome project (6 slides) 4.6. Lead Compounds - de novo design (6 slides) 4.7. Design of Lead Compounds using NMR Spectroscopy (11 slides) [24 slides]

3 1 © The Past Lead Compound TargetsTargets Lead compounds The Future 4.5 Lead Compounds - Impact of the human genome project

4 1 © 4.5 Lead Compounds - Impact of the human genome project

5 1 © 4.5 Lead Compounds - Impact of the human genome project

6 1 © 4.5 Lead Compounds - Impact of the human genome project

7 1 © 4.5 Lead Compounds - Impact of the human genome project

8 1 © 4.5 Lead Compounds - Impact of the human genome project

9 1 © 4.6 Lead Compounds - de novo design

10 1 © X-RAY CRYSTALLOGRAPHY

11 1 © 4.6 Lead Compounds - de novo design PROTEIN STRUCTURE

12 1 © Receptor 4.6 Lead Compounds - de novo design

13 1 © Scaffold CO 2 - HO IONICBOND H- BON D VDWBOND Scaffold H3NH3N + O CH 3

14 1 © N HN O S O ONHN N N H2NH2NH2NH2N S O OON THYMIDYLATE KINASE INHIBITOR ANTICANCER AGENT LEAD COMPOUND Optimisation 4.6 Lead Compounds - de novo design

15 1 © 4.7 Design of Lead Compounds using NMR Spectroscopy NMR SPECTROSCOPY

16 1 © Binding Site Protein 4.7 Design of Lead Compounds using NMR Spectroscopy

17 1 © Protein NO OBSERVABLE BIOLOGICAL EFFECT 4.7 Design of Lead Compounds using NMR Spectroscopy

18 1 © 13 C NMR C C CH CH CH CH 2 CH 3 4.7 Design of Lead Compounds using NMR Spectroscopy

19 1 © CH 2 CH 3 4.7 Design of Lead Compounds using NMR Spectroscopy 13 C NMR C C CH CH CH CH 2 CH 3

20 1 © Protein 4.7 Design of Lead Compounds using NMR Spectroscopy Optimiseepitope

21 1 © Protein 4.7 Design of Lead Compounds using NMR Spectroscopy OptimiseepitopeOptimiseepitope

22 1 © Protein 4.7 Design of Lead Compounds using NMR Spectroscopy OptimiseepitopeOptimiseepitope Link

23 1 © LEAD COMPOUND 4.7 Design of Lead Compounds using NMR Spectroscopy

24 1 © Me Design of a lead compound as an immunosuppressant 4.7 Design of Lead Compounds using NMR Spectroscopy Epitope A Epitope B

25 1 © Me Design of a lead compound as an immunosuppressant 4.7 Design of Lead Compounds using NMR Spectroscopy Lead compound

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