In silico screening of known small molecules to bind ACE2 specific RBD on Spike glycoprotein of SARS-CoV-2 for repurposing against COVID-19

About this activity

he complete genome of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is 82% identical to SARS-CoV, both viruses share a common clade encompassing the genus. Drug repurposing is a commercially viable strategy, as it exploits existing drugs, thus significantly reducing the cost and time involved in developing effective therapeutics. Current drugs in different phases of clinical trials are being investigated for inhibitory activity against viral targets that play a significant role in the coronavirus infection lifecycle. The drug targets might be involved in entry into the host (e.g. umifenovir and chloroquine), replication (e.g. lopinavir/ritonavir), or RNA synthesis (e.g. remdesivir/favipiravir). Among these, targeting SARS-CoV-2 cellular entry via the spike glycoprotein (SARS-CoV-2-S) has emerged as the leading option for repurposing. The entry of COVID-19 pathogen is mediated by the homotrimeric transmembrane protein SARS-CoV-2-S. It is comprised of two functional subun... Objectives Course Objective : Human coronavirus (SARS-CoV-2) is causing a pandemic with significant morbidity and mortality. As no effective novel drugs are available currently, drug repurposing is an alternative intervention strategy. Here we present an. : A total of 4015 known and approved small molecules were screened for interaction with SARS-CoV-2-S through docking studies and 15 lead molecules were shortlisted.