SCARdock: A Web Server and Manually Curated Resource for Discovering Covalent Ligands.

ABSTRACT:

Background

Covalent drugs have been intentionally discarded historically due to the concern of off-target side effects, but the past decade has seen a fast resurgence of the discovery of covalent drugs. Compared to noncovalent ligands, covalent ligands might have better biochemical efficiency, lower patient burden, less dosing frequency, less drug resistance, and improved target specificity.

Results

Previously, we proposed the steric-clashes alleviating receptor (SCAR) strategy for screening and repurposing covalent inhibitors. To help the discovery of covalent ligands targeting protein targets, we have developed a web server dedicated to providing the SCARdock protocol to general users. Along with this server, we presented three high-quality data sets for the discovery of c

SUBMITTER: Song Q 

PROVIDER: S-EPMC10034828 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature