Molecular Docking studies of Apigenin, Kaempferol, and Quercetin as potential target against spike receptor protein of SARS COV
Hardeep Singh Tuli, Shivani Sood, Abhishek Pundir, Deepika Choudhary, Kuldeep Dhama, Gurpreet Kaur, Prachi Seth, Amit Vashishth, Pawan Kumar
Abstract
COVID-19 has been categorized as a pandemic in early 2020 and is known to cause by Severe Acute Respiratory Syndrome Coronavirus (SARS–CoV2). Numerous investigators and people in the scientific community are trying to find a superlative way to avert and cure the ailment by using phytochemicals. Abundant studies have revealed that flavonoids can be very operative in averting virus-mediated infection. The purpose of this study was to accomplish molecular docking studies among plant-derived flavonoids (Apigenin, Kaempferol, and Quercetin) and spike receptor (PDB ID: 2AJF) protein of coronavirus. Pyrx virtual screening tool and biovia discovery studio visualizer were utilized in the current molecular docking investigations. Outcomes of docking studies exposed that selected phytochemicals have interacted with targeted spike receptor protein with binding energies in the range of -6.3 to -7.3 kcal. In conclusion among the various selected ligands, quercetin may be a better inhibitor for the deactivation of SARS-Coronavirus.