… other protease inhibitors to provide a list of nine compounds for drug repurposing. Furthermore,
we identified the natural compounds (−)-taxifolin and rhamnetin as potential inhibitors of …

… This paper focuses on identifying inhibitors that target SARS-CoV-2 proteases, PL PRO and
… We have carried out detailed in silico Virtual high-throughput screening using Food and …

… Two among these five identified most potential inhibitors, N-[(5-methyl-1H-benzimidazol-2-yl)…
PyRx 0.8 for virtual screening in this study provided five novel E6 inhibitors. The novel …

… We further used a virtual screening technique to shortlist the potent phytochemicals with
inhibiting the activity of SARS-CoV-2 M pro . Top hit molecules derived from these were then …

… In this study, we have screened the library of ZINC database to identify some potential
inhibitors of POT1. We further executed molecular dynamics (MD) simulation of free POT1 …

… We used an integrated approach, namely, a ML-based virtual screening approach, to
screen libraries of small molecules that have the potential to inhibit the activity of various CDK2-…

… of novel inhibitors against a target protein [11,12]. In the present study, we have performed
virtual screening of lead-like compounds from the ZINC database to identify novel inhibitors …

… to search novel, potential inhibitors of COVID-19, and characterize the binding pattern to
identify the structural features through structure-based screening and molecular dynamics …

… The aim of this study was to select new potential inhibitors – non-ATP-competitive –
against the mTOR complex using ligand-based VS methodology of rapamycin analogues and …

… Besides that, a virtual screening based on molecular docking emerges as an important
tool for obtaining new antiviral molecules, where researchers can use this tool as a …