Pawan Gupta

Uncovering potent natural products against Sars-Cov-2 main protease using structure-based virtual screening and simulation studies

Computational studies suggested that the natural product-F35 (plant: Ornithogalum caudatum) followed the similar binding patterns and binding energy among the known Mpro inhibitors and could be an alternative and complementary therapy against SARS-CoV-2 infection and exploited further for designing and searching for no...

Construction and validation of pharmacophore model of calcitonin gene-related peptide receptor antagonists using ligand- and structure-based approaches