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
Abd. Kakhar Umar(Padjadjaran University), Dipak Chetia, James H. Zothantluanga(Dibrugarh University), Muhammad Sulaiman Zubair(Tadulako University), H. Lalhlenmawia(Mizoram University), Keerthic Aswin(Institute of Genomics and Integrative Biology), Saipul Maulana(Airlangga University), Mithun Rudrapal(Vignan's Foundation for Science, Technology & Research)
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