Ghosh, Arun K. published the artcileDesign of novel HIV-1 protease inhibitors incorporating isophthalamide-derived P2-P3 ligands: Synthesis, biological evaluation and X-ray structural studies of inhibitor-HIV-1 protease complex, Quality Control of 1877-71-0, the publication is Bioorganic & Medicinal Chemistry (2017), 25(19), 5114-5127, database is CAplus and MEDLINE.
Based upon mol. insights from the X-ray structures of inhibitor-bound HIV-1 protease complexes, we have designed a series of isophthalamide-derived inhibitors incorporating substituted pyrrolidines, piperidines and thiazolidines as P2-P3 ligands for specific interactions in the S2-S3 extended site. Compound 4b has shown an enzyme Ki of 0.025 nM and antiviral IC50 of 69 nM. An X-ray crystal structure of inhibitor 4b-HIV-1 protease complex was determined at 1.33 Å resolution We have also determined X-ray structure of 3b-bound HIV-1 protease at 1.27 Å resolution These structures revealed important mol. insight into the inhibitor-HIV-1 protease interactions in the active site.
Bioorganic & Medicinal Chemistry published new progress about 1877-71-0. 1877-71-0 belongs to esters-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Ester, name is 3-(Methoxycarbonyl)benzoic acid, and the molecular formula is C9H8O4, Quality Control of 1877-71-0.
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