Antiviral phytocompounds “ellagic acid” and “(+)-sesamin” of Bridelia retusa identified as potential inhibitors of SARS-CoV-2 3CL pro using extensive molecular docking, molecular dynamics simulation studies, binding free energy calculations, and bioactivity prediction

Structural Chemistry

Authors: Abd. Kakhar Umar, James H. Zothantluanga, Keerthic Aswin, Saipul Maulana, Muhammad Sulaiman Zubair, H. Lalhlenmawia, Mithun Rudrapal, Dipak Chetia

DOI: https://doi.org/10.1007/s11224-022-01959-3

Publish Year: 2022