In Silico Methods for Identification of Potential Active Sites of Therapeutic Targets.

ABSTRACT: Target identification is an important step in drug discovery, and computer-aided drug target identification methods are attracting more attention compared with traditional drug target identification methods, which are time-consuming and costly. Computer-aided drug target identification methods can greatly reduce the searching scope of experimental targets and associated costs by identifying the diseases-related targets and their binding sites and evaluating the druggability of the predicted active sites for clinical trials. In this review, we introduce the principles of computer-based active site identification methods, including the identification of binding sites and assessment of druggability. We provide some guidelines for selecting methods for the identification of binding sites and a

SUBMITTER: Liao J 

PROVIDER: S-EPMC9609013 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature