Receptor-based pharmacophore tool for design and development of next-generation drugs.

摘要

Drug discovery is an intricate process in which new drugs are designed or discovered. A pharmacophore is an essential ensemble of steric and electronic features for drug discovery, which is necessary to ensure optimal interactions with a specific target structure and to trigger its biological response. Here we present our innovative approach: the Receptor-Based Pharmacophoric Tool (RBPT), a transparent user friendly GUI sphere that generates pharmacophores using the structure of the target protein at the specified binding site. The pharmacophore generated for the specified binding site of a target can be used in virtual screening and for further studies.