Development and application of hybrid structure based method for efficient screening of ligands binding to G-protein coupled receptors.

ABSTRACT: G-protein coupled receptors (GPCRs) comprise a large superfamily of proteins that are targets for nearly 50% of drugs in clinical use today. In the past, the use of structure-based drug design strategies to develop better drug candidates has been severely hampered due to the absence of the receptor's three-dimensional structure. However, with recent advances in molecular modeling techniques and better computing power, atomic level details of these receptors can be derived from computationally derived molecular models. Using information from these models coupled with experimental evidence, it has become feasible to build receptor pharmacophores. In this study, we demonstrate the use of the Hybrid Structure Based (HSB) method that can be used effectively to screen and identify prospective li

SUBMITTER: Kortagere S 

PROVIDER: S-EPMC2756463 | biostudies-literature | 2006 Dec

REPOSITORIES: biostudies-literature