In-Silico Molecular Docking and Pharmaco-Kinetic Activity Analysis of Potential Inhibitors against SARS-CoV-2 Spike Glycoproteins

Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-COV-2) is a causative agent of the potentially fatal coronavirus disease (COVID-19). targets human respiratory system primarily. It can also infect gastrointestinal, hepatic, and central nervous systems humans, avians, bats, livestock, mice, many other wild animals, as these are primary pathogen. This study aims to screen out most potent inhibitor for SARS-CoV-2 (COVID-19) spike glycoproteins among selected drugs, computational tools have been utilized this purpose. The drugs designed explore their structural properties in by molecular orbital calculation. To inhibit glycoproteins, performance was examined docking In improving non-bond interactions play significant role. determine chemical reactivity all medicines, HOMO LUMO energy values were calculated. combined calculations exhibited that Ledipasvir be drug treat compared medications.