Arun Bahadur Gurung

TL;DR: Bonducellpin D exhibited broad-spectrum inhibition potential against SARS- CoV Mpro and MERS-CoV M Pro and therefore is a promising drug candidate, which needs further validations through in vitro and in vivo studies.

TL;DR: In this paper, the authors highlight two important categories of computer-aided drug design (CADD), viz., the ligand-based as well as structured-based drug discovery.

TL;DR: The present findings suggest that these FDA approved antiviral drugs can be subjected to repurposing against SARS-CoV-2 infection after verifying the in silico results through in vitro and in vivo studies.

TL;DR: The present work aimed at the identification of suitable lead molecules for the inhibition of 3CLpro enzyme via a computational screening of the Food and Drug Administration (FDA) approved antiviral drugs and phytochemicals.

TL;DR: Novel anti-cancer plants derived compounds from Himalayan region were docked with defined molecular targets that regulate cell proliferation and apoptosis and Physicochemical profile studies showed that majority of the compounds conform to Lipinski's rule of five having low to high blood brain barrier penetration, human intestinal absorption, plasma binding protein inhibition and P glycoprotein inhibition.