id author title date pages extension mime words sentences flesch summary cache txt cord-255782-w6nfkdok Chikhale, Rupesh V. Sars-cov-2 host entry and replication inhibitors from Indian ginseng: an in-silico approach 2020-06-22 .txt text/plain 5638 276 51 somnifera in comparison to reference drugs (hydroxychloroquine, lopinavir and remdesivir) against two different protein targets, that is, NSP15 endoribonuclease and prefusion spike RBD from SARS-CoV-2 using in-silico docking simulation and molecular dynamics (MD) study. The top three binding energy scorer ligand to each protein, that is, QGRG, Withanoside X and Ashwagandhanolide for spike RBD and QGRG, Dihydrowithaferin A and Withanolide N for NSP15 Endoribonuclease were selected for further MD study. Therefore, in the present study 100 ns of MD simulations were performed for all selected best six docked complexes to observe how the interaction pattern of the binding site of NSP15 endoribonuclease and spike RBD from SARS CoV-2 adapts to the docked bioactive. The phytochemicals Ashwagandhanolide, QGRG and Withanoside X in complex with the SARS-CoV-2 spike protein (PDB: 6M0J) were selected for the MDS based on molecular docking study results. ./cache/cord-255782-w6nfkdok.txt ./txt/cord-255782-w6nfkdok.txt