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Updated: May 8, 2026

Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro
Published on: September 26, 2025
Receptor-based pharmacophore tool for design and development of next-generation drugs
M Udayakumar1, Pupala Suresh Kumar, K Hemavathi
1Department of Bioinformatics, School of Chemical and Biotechnology, SASTRA University, Thanjavur 613402, Tamilnadu, India. uthay@bioinfo.sastra.edu
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.
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