id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-333498-d25qfq0f	Chitranshi, Nitin	Evolving geographic diversity in SARS-CoV2 and in silico analysis of replicating enzyme 3CL(pro) targeting repurposed drug candidates	2020-07-09		.txt	text/plain	5999	378	51	Recent release of the high-resolution crystal structure for the main proteinase 3CL pro (Protein Data Bank, PDB ID: 6Y2G), describing an additional amide bond with the α-ketoamide inhibitor pyridone ring to enhance the half-life of the compound in plasma [16] is suggested to accelerate the targeted drug discovery efforts. Since the initial stages of the SARS-CoV-2 outbreak, laboratories and hospitals around the world have sequenced viral genome data with unprecedented speed, enabling real-time understanding of this novel disease process, which will hopefully contribute to the development of novel candidate drugs. In contrast, our docking studies revealed that bilobetin, predicted almost comparable binding energy with that of amentaflavone (− 8.29 kcal/mol) suggesting that mutation in SARS-CoV-2 3CL pro could potentially disrupt hydrogen bonding or induce some conformational change that could result in alterations in the binding site thus affecting inhibitor interactions with the enzyme active site residues.	./cache/cord-333498-d25qfq0f.txt	./txt/cord-333498-d25qfq0f.txt