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:
Categories:
Therapeutic Areas:
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 December 6, 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.