In an article, author is Yan, Shunqi, once mentioned the application of 1504-58-1, Recommanded Product: 1504-58-1, Name is 3-Phenylprop-2-yn-1-ol, molecular formula is C9H8O, molecular weight is 132.16, MDL number is MFCD00040914, category is isothiazole. Now introduce a scientific discovery about this category.
Isothiazoles as active-site inhibitors of HCVNS5B polymerase
Isothiazole analogs were discovered as a novel class of active-site inhibitors of HCV NS5B polyrnerase. The best compound has an IC50 of 200 nM and EC50 of 100 nM, which is a significant improvement over the starting inhibitor (1). The X-ray complex structure of I with HCV NS5B was obtained at a resolution of 2.2 angstrom, revealing that the inhibitor is covalently linked with Cys 366 of the ‘primer-grip’. Furthermore, it makes considerable contacts with the C-terminus, P-loop, and more importantly, to the active-site of the enzyme. The uniqueness of this binding mode offers a new insight for the rational design of novel inhibitors for HCV NS5B polymerase. (c) 2006 Elsevier Ltd. All rights reserved.
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Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com