Recent computational advances in the identification of allosteric sites in proteins

Shaoyong Lu, Wenkang Huang, Jian Zhang
2014 Drug Discovery Today  
Allosteric modulators have the potential to fine-tune protein functional activity. Therefore, the targeting of allosteric sites, as a strategy in drug design, is gaining increasing attention. Currently, it is not trivial to find and characterize new allosteric sites by experimental approaches. Alternatively, computational approaches are useful in helping researchers analyze and select potential allosteric sites for drug discovery. Here, we review state-of-the-art computational approaches
more » ... d at predicting putative allosteric sites in proteins, along with examples of successes in identifying allosteric sites utilizing these methods. We also discuss the challenges in developing reliable methods for predicting allosteric sites and tactics to resolve demanding tasks. Reviews POST SCREEN
doi:10.1016/j.drudis.2014.07.012 pmid:25107670 fatcat:246n7yf3jbcbbmaglng24veu5a