Harnessing conformational drivers in drug design
Praful Chovatia1, Angelo Sanzone1, Gert-Jan Hofman1
1Evotec (UK) Ltd, Milton Park, Abingdon, United Kingdom.
Abstract:
This review article explores the pivotal role of conformational drivers in the discovery of drug-like molecules and illustrates their significance through real-life examples. Understanding molecular conformation is paramount to drug hunting as it can impact on- and off-target potency, metabolism, permeability, and solubility. Each conformational driver or effector is described and exemplified in a separate section. The final section is dedicated to NMR spectroscopy and illustrates its utility as an essential tool for conformational design.
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