Reversing allosteric communication: From detecting allosteric sites to inducing and tuning targeted allosteric response.

ABSTRACT: The omnipresence of allosteric regulation together with the fundamental role of structural dynamics in this phenomenon have initiated a great interest to the detection of regulatory exosites and design of corresponding effectors. However, despite a general consensus on the key role of dynamics most of the earlier efforts on the prediction of allosteric sites are heavily crippled by the static nature of the underlying methods, which are either structure-based approaches seeking for deep surface pockets typical for "traditional" orthosteric drugs or sequence-based techniques exploiting the conservation of protein sequences. Because of the critical role of global protein dynamics in allosteric signaling, we investigate the hypothesis of reversibility in allosteric communication, according to

SUBMITTER: Tee WV 

PROVIDER: S-EPMC6023240 | biostudies-literature | 2018 Jun

REPOSITORIES: biostudies-literature