2cem: Difference between revisions
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Revision as of 19:01, 5 November 2007
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P1' EXTENDED HIV-1 PROTEASE INHIBITORS ENCOMPASSING A TERTIARY ALCOHOL IN THE TRANSITION-STATE MIMICKING SCAFFOLD
OverviewOverview
Two series of P1'-extended HIV-1 protease inhibitors comprising a tertiary, alcohol in the transition-state mimic exhibiting Ki values ranging from, 2.1 to 93 nM have been synthesized. Microwave-accelerated, palladium-catalyzed cross-couplings were utilized to rapidly optimize the, P1' side chain. High cellular antiviral potencies were encountered when, the P1' benzyl group was elongated with a 3- or 4-pyridyl substituent, (EC50 = 0.18-0.22 microM). X-ray crystallographic data were obtained for, three inhibitors cocrystallized with the enzyme.
About this StructureAbout this Structure
2CEM is a Single protein structure of sequence from Human immunodeficiency virus 1 with 2AH as ligand. Active as HIV-1 retropepsin, with EC number 3.4.23.16 Structure known Active Site: AC1. Full crystallographic information is available from OCA.
ReferenceReference
Microwave-accelerated synthesis of P1'-extended HIV-1 protease inhibitors encompassing a tertiary alcohol in the transition-state mimicking scaffold., Ekegren JK, Ginman N, Johansson A, Wallberg H, Larhed M, Samuelsson B, Unge T, Hallberg A, J Med Chem. 2006 Mar 9;49(5):1828-32. PMID:16509598
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