Jon Mason and Miles Congreve from Heptares will describe what protein-ligand X-ray data can do for your medicinal chemistry project. How these data can be interpreted and used to influence both the strategic direction of the work and to drive the design of compounds for synthesis will be discussed.
What You Will Learn
- Assessment of the druggability of a binding site and the types and quality of the interactions that can form with small molecules – factors that suggest the tractability of the target to small molecule drug design
- Approaches to consider the importance of binding site solvation, protein dynamics, binding kinetics and small molecule conformation / flexibility– all factors that influence how potent a compound is for the target
- The role of SBDD in directing the best practice of the medicinal chemists in order to design better quality, atom efficient compounds with improved druglike properties
The Fine Print
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