Design,SynthesisandEvaluationofBenzenesulfonamidesubstituted1,5DiarylpyrazolescontainingPhenylacetohydrazideDerivativesasCOX1COX2AgentsAgainstSolidTumors

Design,SynthesisandEvaluationofBenzenesulfonamidesubstituted1,5DiarylpyrazolescontainingPhenylacetohydrazideDerivativesasCOX1COX2AgentsAgainstSolidTumors.pdf
Novelbenzenesulfonamide-substituted1,5-diarylpyrazolescontainingphenylacetohydrazidederivativeshavebeendesigned,synthesizedandevaluatedfortheirbiologicalactivitiesasselectiveCOX-2inhibitorwithanticancerpotential.Invitrothebioassayresultsrevealedthatsomeofthemdisplayedpotentinhibitoryactivityintheenzymaticandcellularassays.Amongthem,compound48showedmostpowerfulandpotentselectiveinhibitoryactivity(IC50=82.21μMforCOX-1andIC50=0.37μMforCOX-2),comparabletothecontrolpositivecompoundCelecoxib(40.29μM,0.15μM).Antiproliferativeassayresultsindicatedthatcompound48possesspotentantiproliferativeactivityagainstA549cellsinvitrowithIC50valueof0.78μM.WethenperformedPIstainingassayandcellapoptosisanalysisforcompound48andfoundthatiteffectivelycausingA549cellapoptosis.Dockingsimulationwasfurtherperformedtopositioncompound48intotheCOX-2activesitetodeterminetheprobablebindingmodel.The3D-QSARmodelswerebuiltforreasonabledesignofselectiveCOX-2inhibitorinfuture.
作者：Xiao-YuanLuZhong-ChangWangTingWeiXiao-qiangYanPeng-FeiWangHai-LiangZhu
作者单位：StateKeyLaboratoryofPharmaceuticalBiotechnology,NanjingUniversity,Nanjing210023,People'sRepublicofChina
母体文献：第九届国际分子模拟与信息技术应用学术会议(ICMS&I2018)论文集
会议名称：第九届国际分子模拟与信息技术应用学术会议(ICMS&I2018)  
会议时间：2018年5月1日
会议地点：太原
主办单位：中国化学会,中科院,北京创腾科技有限公司
语种：chi
分类号：
关键词：Diarylpyrazoles  Benzenesulfonamide  Anticancer  COX-1/COX-2  Docking
在线出版日期：2019年6月27日
基金项目：
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