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© Research
Publication : Drug discovery today

Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery

Scientific Fields
Diseases
Organisms
Applications
Technique

Published in Drug discovery today - 04 Jun 2010

Pérot S, Sperandio O, Miteva MA, Camproux AC, Villoutreix BO

Link to Pubmed [PMID] – 20685398

Drug Discov. Today 2010 Aug;15(15-16):656-67

Detection, comparison and analyses of binding pockets are pivotal to structure-based drug design endeavors, from hit identification, screening of exosites and de-orphanization of protein functions to the anticipation of specific and non-specific binding to off- and anti-targets. Here, we analyze protein-ligand complexes and discuss methods that assist binding site identification, prediction of druggability and binding site comparison. The full potential of pockets is yet to be harnessed, and we envision that better understanding of the pocket space will have far-reaching implications in the field of drug discovery, such as the design of pocket-specific compound libraries and scoring functions.

http://www.ncbi.nlm.nih.gov/pubmed/20685398