Receptor-based pharmacophore tool for design and development of next-generation drugs. (1st January 2013)

• Record Type: Journal Article
• Authors: Udayakumar, M.; Kumar, Pupala Suresh; Hemavathi, K.; Shanmugapriya, P.; Seenivasagam, R.
• Is Part Of: International journal of bioinformatics research and applications. Volume 9:Number 5(2013)
• Page Start: 487
• Page End: 516
• Publication Date: 2013-01-01
• Subjects: drug discovery -- pharmacophore -- virtual screening -- binding site; Bioinformatics -- Periodicals; 570.285
• Languages: English
• ISSNs: 1744-5485

Abstract

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.