id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-346546-yffwd0dc	Douangamath, Alice	Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease	2020-05-27		.txt	text/plain	4059	259	56	To identify starting points for such therapeutics, we performed a large-scale screen of electrophile and non-covalent fragments through a combined mass spectrometry and X-ray approach against the SARS-CoV-2 main protease, one of two cysteine viral proteases essential for viral replication. These combined hits offer unprecedented structural and reactivity information for on-going structure-based drug design against SARS-CoV-2 main protease. For 113 another series of hit compounds, containing a N-chloroacetyl piperidinyl-4-carboxamide 114 motif (Table S2 ) which displays lower reactivity and were not frequent hitters in previous 115 screens, we attempted crystallization despite their absence of labelling in the stringent 116 The bound fragments comprehensively sample all subsites of the active 287 site revealing diverse expansion vectors, and the electrophiles provide extensive, systematic 288 as well as serendipitous, data for designing covalent compounds. Crystal structure of SARS-CoV-2 main protease 763 provides a basis for design of improved alpha-ketoamide inhibitors	./cache/cord-346546-yffwd0dc.txt	./txt/cord-346546-yffwd0dc.txt