ANCHOR: a web server and database for analysis of protein-protein interaction binding pockets for drug discovery.

ABSTRACT: ANCHOR is a web-based tool whose aim is to facilitate the analysis of protein-protein interfaces with regard to its suitability for small molecule drug design. To this end, ANCHOR exploits the so-called anchor residues, i.e. amino acid side-chains deeply buried at protein-protein interfaces, to indicate possible druggable pockets to be targeted by small molecules. For a given protein-protein complex submitted by the user, ANCHOR calculates the change in solvent accessible surface area (DeltaSASA) upon binding for each side-chain, along with an estimate of its contribution to the binding free energy. A Jmol-based tool allows the user to interactively visualize selected anchor residues in their pockets as well as the stereochemical properties of the surrounding region such as hydrogen bondin

SUBMITTER: Meireles LM 

PROVIDER: S-EPMC2896143 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature