id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-301828-qux5hvcw	Khalifa, Ibrahim	Tannins inhibit SARS‐CoV‐2 through binding with catalytic dyad residues of 3CL(pro): An in silico approach with 19 structural different hydrolysable tannins	2020-08-11		.txt	text/plain	2519	146	43	We therefore theoretically studied and docked the effects of 19 hydrolysable tannins on SARS‐CoV‐2 by assembling with the catalytic dyad residues of its 3CL(pro) using molecular operating environment (MOE 09). Likewise, tannin-type compounds, such as epiacutissimins A and B, castalin, vescalin, chebulagic acid, and punicalagin showed anti-herpesvirus activity via targeting viral glycoprotein-glycosaminoglycan binding to inhibit access and cell-to-cell feast (Lin et al., 2011; Aires, 2020 The current study was designed to find out a potent inhibitor against COVID-19 from 19 structural different hydrolysable tannins which could target the main protease of SARS-CoV-2 using in silico approaches (molecular docking and drug-likeness scan). Among these hydrolysable tannins, pedunculagin, strongly interacted with the catalytic dyad residues (Cys-145 and His-41) of SARS-CoV-2-3CL pro , with sense binding affinity, docking score, and ADMET properties. Herein, we screened the structural relationship activity of 19 hydrolysable tannins as potential antiviral components and we chose the top three hits that may inhibit the main protease of SARS-CoV-2 and hence virus copying.	./cache/cord-301828-qux5hvcw.txt	./txt/cord-301828-qux5hvcw.txt