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

Authors:
M. Udayakumar;Pupala Suresh Kumar;K. Hemavathi;P. Shanmugapriya;R. Seenivasagam
Affiliations:
Department of Bioinformatics, School of Chemical and Biotechnology, SASTRA University, Thanjavur 613402, Tamilnadu, India;Department of Bioinformatics, School of Chemical and Biotechnology, SASTRA University, Thanjavur 613402, Tamilnadu, India;Department of Bioinformatics, School of Chemical and Biotechnology, SASTRA University, Thanjavur 613402, Tamilnadu, India;Department of Bioinformatics, School of Chemical and Biotechnology, SASTRA University, Thanjavur 613402, Tamilnadu, India;Division of Drug Discovery and Development, Center of Molecular and Computational Biology, Department of Botany, St. Joseph's College, P.B.27094, 36, Langford Road, Bangalore, Karnataka 560027, In ...
Venue:
International Journal of Bioinformatics Research and Applications
Year:
2013

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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.