Journal of Vascular and Endovascular Therapy

Abstract

While significant efforts are in progress for developing drugs and vaccines against COVID-19, limited therapeutic agents are available to curtail this ever-witnessed pandemic. Thus, it is essential to screen novel therapeutic interventions in which structure-based drug discovery and high throughput screening of potential lead molecules paves significant insights. This study focused to predict the binding potential and interaction mechanisms of some natural molecules to the selected putative molecular targets of SARS-CoV-2 by molecular modeling, molecular docking and dynamic simulation studies.