Drug resistance has become one of the biggest challenges in drug discovery and/or development and has attracted great research interests worldwide. During the past decade, computational strategies have been developed to predict target mutation-induced drug resistance. Meanwhile, various molecular design strategies, including targeting protein backbone, targeting highly conserved residues and dual/multiple targeting, have been used to design novel inhibitors for combating the drug resistance. In this article we review recent advances in development of computational methods for target mutation-induced drug resistance prediction and strategies for rational design of novel inhibitors that could be effective against the possible drug-resistant mutants of the target.
|Number of pages||6|
|Journal||Drug Discovery Today|
|State||Published - Oct 2012|
Bibliographical noteFunding Information:
This work was supported in part by the National Basic Research Program of China (grant no. 2010CB126103 ), NSFC (grants nos. 20925206 and 20932005 ), NSF (grant CHE-1111761 ) and NIH (grant RC1MH088480 ).
ASJC Scopus subject areas
- Drug Discovery