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Synthesis, in vitro evaluation, and docking studies of novel chromone derivatives as HIV-1 protease inhibitor

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dc.contributor.authorUngwitayatorn J.
dc.contributor.authorWiwat C.
dc.contributor.authorSamee W.
dc.contributor.authorNunthanavanit P.
dc.contributor.authorPhosrithong N.
dc.date.accessioned2021-04-05T03:35:07Z
dc.date.available2021-04-05T03:35:07Z
dc.date.issued2011
dc.date.issuedBE2554
dc.description.abstractNovel 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 μM. The molecular docking study supported results from experimental activity testing and also provided structure-activity relationship of this series. © 2011 Elsevier B.V. All rights reserved.
dc.format.mimetypeapplication/pdf
dc.identifier.citationJournal of Molecular Structure. Vol 1001, (2011), p.152-161
dc.identifier.doi10.1016/j.molstruc.2011.06.035
dc.identifier.issn222860
dc.identifier.other2-s2.0-79961032360
dc.identifier.urihttps://hdl.handle.net/20.500.14740/7258
dc.rights.holderScopus
dc.subject.otherChromone derivatives
dc.subject.otherChromones
dc.subject.otherCyclization reactions
dc.subject.otherHIV-1 protease
dc.subject.otherHIV-1 protease inhibitors
dc.subject.otherHPLC method
dc.subject.otherIn-vitro
dc.subject.otherIn-vitro evaluation
dc.subject.otherInhibitory activity
dc.subject.otherMolecular docking
dc.subject.otherOne pot
dc.subject.otherPotent compounds
dc.subject.otherStructure activity relationships
dc.subject.otherTrifluoromethyl
dc.subject.otherCyclization
dc.subject.otherMolecular modeling
dc.subject.otherScaffolds
dc.subject.otherSynthesis (chemical)
dc.subject.otherDocking
dc.subject.otherHuman immunodeficiency virus
dc.subject.otherHuman immunodeficiency virus 1
dc.titleSynthesis, in vitro evaluation, and docking studies of novel chromone derivatives as HIV-1 protease inhibitor
dc.typeArticle
dspace.entity.typePublication
swu.datasource.scopushttps://www.scopus.com/inward/record.uri?eid=2-s2.0-79961032360&doi=10.1016%2fj.molstruc.2011.06.035&partnerID=40&md5=007ee7698fbe2e5de50c88d3b44e8787

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