Liu, Tian published the artcileA crystal structure-guided rational design switching non-carbohydrate inhibitors’ specificity between two β-GlcNAcase homologs, Product Details of C4H5ClN2S, the publication is Scientific Reports (2014), 6188, database is CAplus and MEDLINE.
Selective inhibition of function-specific β-GlcNAcase has great potential in terms of drug design and biol. research. The sym. bis-naphthalimide M-31850 was previously obtained by screening for specificity against human glycoconjugate-lytic β-GlcNAcase. Using protein-ligand co-crystallization and mol. docking, we designed an unsym. dyad of naphthalimide and thiadiazole, Q2, that changes naphthalimide specificity from against a human glycoconjugate-lytic β-GlcNAcase to against insect and bacterial chitinolytic β-GlcNAcases. The crystallog. and in silico studies reveal that the naphthalimide ring can be utilized to bind different parts of these enzyme homologs, providing a new starting point to design specific inhibitors. Moreover, Q2-induced closure of the substrate binding pocket is the structural basis for its 13-fold increment in inhibitory potency. Q2 is the first non-carbohydrate inhibitor against chitinolytic β-GlcNAcases. This study provides a useful example of structure-based rationally designed inhibitors as potential pharmaceuticals or pesticides.
Scientific Reports published new progress about 75341-23-0. 75341-23-0 belongs to chlorides-buliding-blocks, auxiliary class Thiadiazole,Chloride, name is 2-(Chloromethyl)-5-methyl-1,3,4-thiadiazole, and the molecular formula is C4H5ClN2S, Product Details of C4H5ClN2S.
Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics