id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
10_1101-332965	Banerjee, Arpita	Identification and design of vinyl sulfone inhibitors against Cryptopain-1 – a cysteine protease from cryptosporidiosis-causing <em>Cryptosporidium parvum</em>	2021	30	.pdf	application/pdf	9346	1457	72	protease well by making favorable interactions with important residues of the enzyme. Keywords: Vinyl sulfone inhibitors, Cryptopain-1, Cysteine protease, Molecular residues that were contacted by ligand subgroups across the enzymatic cleft, in one or The ligand subgroup-contacting residues in each complex had been mutated to Alanine; favorably interacting subsite residues (derived from Supplementary Table 1) in the Interactions: enzyme subsite residues ligand subgroups with the ligand ring systems showed highly positive ddGbind values for thiophen group in always, showed favorable interactions even when no ligand group was placed near it. with no ligand group placed near the residue, the interactions were unfavorable. around the ligand subgroups of the best-scored vinyl sulfones compounds (PubChem IDs Figure1: Illustration of the typical binding of vinyl sulfone inhibitors to cysteine protease enzymes. Figure 3: All the residues that are contacted by one or more ligands in the docked complexes of 	./cache/10_1101-332965.pdf	./txt/10_1101-332965.txt