id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-271371-qs7zge3l	Gao, Jia	Repurposing Low-Molecular-Weight Drugs against the Main Protease of Severe Acute Respiratory Syndrome Coronavirus 2	2020-07-28		.txt	text/plain	2217	139	57	As low-molecular-weight drugs have high potential to completely match interactions with essential SARS-CoV-2 targets, we propose a strategy to identify such drugs using the fragment-based approach. Herein, using ligandand protein-observed fragment screening approaches, we identified niacin and hit 1 binding to the catalytic pocket of the main protease (M(pro)) of SARS-CoV-2, thereby modestly inhibiting the enzymatic activity of M(pro). We further searched for low-molecular-weight drugs containing niacin or hit 1 pharmacophores with enhanced inhibiting activity, e.g., carmofur, bendamustine, triclabendazole, emedastine, and omeprazole, in which omeprazole is the only one binding to the C-terminal domain of SARS-CoV-2 M(pro). Our study demonstrates that the fragment-based approach is a feasible strategy for identifying low-molecular-weight drugs against the SARS-CoV-2 and other potential targets lacking specific drugs. Nevertheless, using this fragment-based approach is a feasible strategy for repurposing low-molecular-weight drugs targeting SARS-CoV-2 M pro .	./cache/cord-271371-qs7zge3l.txt	./txt/cord-271371-qs7zge3l.txt