Department of Plant Biology and Plant Biotechnology, Presidency College (Autonomous), (University of Madras), Chennai, 600 005, Tamil Nadu, India
Online published on 25 October, 2023.
Piper nigrum Linn, is used in Ayurveda systems for curing pulmonary infections. Its 19 ligands were chosen and docked with 6LU7 and 6Y2E main proteases of COVID-19 through PyRx software and visualized through Discovery studio. The binding values of these 19 ligands with 6LU7 protease ranged from -3.9 Kcal/mol of N-Formylpiperidine to -6.8 Kcal/mol of Piperine. The binding affinity ranged from -3.4 Kcal/mol of Piperidine to -7.8 Kcal/mol of Piperettine for 6Y2E protease. Whereas, the corresponding values of the control drug Saquinavir were -7.8 and -7.6 Kcal/mol respectively.
Covid-19, 6LU7, 6Y2E, Discovery studio, Piper nigrum, PyRx
