Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1001, Issue 1-3, Pages 152-161Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.molstruc.2011.06.035
Keywords
Chromone derivatives; HIV-1 protease inhibitor; Molecular docking
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Novel chromone derivatives with a benzopyran-4-one scaffold have been prepared by the one-pot cyclization reaction. The in vitro inhibitory activity of these new compounds towards HIV-1 protease have been evaluated using stop time HPLC method as the preliminary screening. The most potent compound, 7,8-dihydroxy-2-(3'-trifluoromethyl phenyl)-3-(3 ''-trifluoromethylbenzoyl)chromone (32), showed IC50 = 0.34 mu M. The molecular docking study supported results from experimental activity testing and also provided structure-activity relationship of this series. (C) 2011 Elsevier B.V. All rights reserved.
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