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Navigable Slide Index

1. Introduction
2. Many antibiotics inhibit the ribosome
3. Intelligent engine builds perpetual pipeline (1)
4. Crystallography shows 50s is a target-of-targets
5. From new X-ray crystals to new leads
6. AnalogTM
7. LINKER essentials: tethering two binding features
8. BOMB essentials: grow
9. BOMB essentials: grow, search
10. BOMB essentials: score, refine
11. MUSIC essentials: core-swapping
12. QikProp - calculating drug-like properties
13. Structures + AnalogTM: balanced compounds
14. Case study: enhanced oxazolidinones
15. Structural foundations
16. Path to enhanced oxazolidinones
17. Py contributions represent key interactions
18. Probing selectivity of sparsomycin
19. Seeking a new lead
20. The results (1)
21. Difference density map showing rib-X prototype
22. Modeling - a perfect match
23. The results (2)
24. A minimal scaffold for lead optimization
25. Minimal scaffold binds effectively in A-site
26. Activity against H. influenzae
27. H. influenzae activity with time evolution
28. H. flu model delivers differentiable oxazolidinones
29. Moderate in vivo activity measured
30. Predictive model for rat oral bioavailability
31. First pool of drug candidates
32. Structures + predictive models = time-saving filters
33. Intelligent engine builds perpetual pipeline (2)
34. Acknowledgments

Topics Covered

• Many antibiotics inhibit the ribosome
• Intelligent engine builds perpetual pipeline
• Crystallography shows 50S is a target-of-targets
• From new X-ray crystals to new leads
• Analog(Trade Mark)
• LINKER essentials: tethering two binding features
• BOMB essentials
• MUSIC essentials: core-swapping
• QikProp: calculating drug-like properties
• Structures + Analog(Trade Mark): balanced compounds
• Case study: enhanced oxazolidinones
• Structural foundations
• Path to enhanced oxazolidinones
• Pi contributions represent key interactions
• Probing selectivity of sparsomycin
• Seeking a new lead
• Difference density map showing rib-X prototype
• Perfect match
• A minimal scaffold for lead optimization
• Minimal scaffold binds effectively in A-site
• Activity against H. influenzae
• H. influenzae activity with time evolution
• H. flu model delivers differentiable oxazolidinones
• Moderate in vivo activity measured
• Predictive model for rat oral bioavailability
• First pool of drug candidates
• Structures + predictive models = time-saving filters

Links

Series:

• The Mechanisms of Ribosome Function

Categories:

• Biochemistry
• Microbiology
• Pharmaceutical Sciences

Therapeutic Areas:

• Infectious Diseases

Talk Citation

Duffy, E. (2008, May 15). Structure-based drug design targeting infectious disease [Video file]. In The Biomedical & Life Sciences Collection, Henry Stewart Talks. Retrieved June 10, 2023, from https://hstalks.com/bs/813/.
Export Citation (RIS)

Publication History

• Published on May 15, 2008

Financial Disclosures

• Dr. Erin Duffy has not informed HSTalks of any commercial/financial relationship that it is appropriate to disclose.