Dr.WeihuaLigraduatedfromShanghaiInstituteofMateriaMedica,ChineseAcademyofSciences,andobtainedhisPh.D.degreeinJuly2005.FromSeptember2005toJuly2007,hedidpost-doctoralresearchinSchoolofPharmacyofEastChinaUniversityofScienceandTechnology(ECUST).WiththesupportofJSPSscholarship,hewenttotheDepartmentofPharmacy,ChibaUniversity,Japantoconductpost-doctoralresearchinJuly2007.InJuly2009,hejoinedSchoolofPharmacy,ECUST.Nowheworksinthisschoolasanassociateprofessor.SelectedPublications:(*denotescorrespondingauthor;?denotesequalcontribution)
lWeihuaLi,JingFu,FeixiongCheng,MingyueZheng,JianZhang,GuixiaLiu,andYunTang.UnbindingpathwaysofGW4064fromhumanfarnesoidXreceptorasrevealedbymoleculardynamicssimulations.JChemInfModel,2012,52,3043-3052.
lJingFu,PeiSi,MingyueZheng,LiliChen*,XuShen,YunTang,andWeihuaLi*.Discoveryofnewnon-steroidalFXRligandsviaavirtualscreeningworkflowbasedonPhaseshapeandinducedfitdocking.BioorgMedChemLett,2012,22,6848-6853.
lZhonghuaShen,FeixiongCheng,YouXu,JingFu,WenXiao,JieShen,GuixiaLiu,WeihuaLi*,andYunTang*.InvestigationofindazoleunbindingpathwaysinCYP2E1bymoleculardynamicssimulations.PLoSOne,2012,7,e33500.
lJingFu,ZhonghuaShen,FeixiongCheng,GuixiaLiu,WeihuaLi*,andYunTang*.Progressinstudyofthestructure,catalyticmechanismandinhibitorsofaromatase.ActaPharmSinica(YaoXueXueBao),2012,47,18-28.
lWeihuaLi,JingFu,MingyueZheng,GuixiaLiu,andYunTang.ProgressintheligandsandcomplexstructuresoffarnesoidXreceptor.ActaPharmSinica(YaoXueXueBao),2012,47,704-715.
lWeihuaLi?,JieShen?,GuixiaLiu,YunTang,andTyujiHoshino.ExploringcoumarinegresschannelsinhumancytochromeP4502A6byrandomaccelerationandsteeredmoleculardynamicssimulations.Proteins,2011,79,271-281.
lFeixiongCheng,YueYu,YadiZhou,ZhonghuaShen,WenXiao,GuixiaLiu,WeihuaLi*,PhilipW.Lee,andYunTang*.InsightsintomolecularbasisofcytochromeP450inhibitorypromiscuityofcompounds.JChemInfModel,2011,51,2482-2495.
lFeixiongCheng,YueYu,JieShen,LeiYang,WeihuaLi*,GuixiaLiu,PhilipW.Lee,andYunTang*.ClassificationofcytochromeP450inhibitorsandnoninhibitorsusingcombinedclassifiers.JChemInfModel,2011,51,996-1011.
lYouXu,ZhonghuaShen,JieShen,GuixiaLiu,WeihuaLi*,andYunTang*.ComputationalinsightsintothedifferentcatalyticactivitiesofCYP2A13andCYP2A6onNNK.JMolGraphModel,2011,30,1-9.
lZhonghuaShen,WeihuaLi*,YouXu,GuixiaLiu,andYunTang*.AdvancesintheligandchannelsofcytochromeP450s.ChineseSciBull(KeXueTongBao),2011,56,189-197.
lJieShen,FeixiongCheng,YouXu,WeihuaLi*,andYunTang*.EstimationofADMEpropertieswithsubstructurepatternrecognition.JChemInfModel,2010,50,1034-1041.
lWeihuaLi,HirotakeOde,TyujiHoshino,HongLiu,YunTang,andHualiangJiang.ReducedcatalyticactivityofP4502A6mutantswithcoumarin:Acomputationalinvestigation.JChemTheoryComput,2009,5,1411-1420.
lWeihuaLi,YunTang,TyujiHoshino,andSaburoNeya.MolecularmodelingofhumancytochromeP4502W1anditsinteractionswithsubstrates.JMolGraphModel,2009,28,170-176.
lWeihuaLi,YunTang,HongLiu,JiagaoCheng,WeiliangZhu,andHualiangJiang.ProbingligandbindingmodesofhumanP4502J2byhomologymodeling,moleculardynamicssimulations,andflexiblemoleculardocking.Proteins,2008,71,938-949.
lGuanghuiDeng?,WeihuaLi?,JiahuaShen,HualiangJiang,KaixianChen,andHongLiu.Pyrazolidine-3,5-dionederivativesaspotentnon-steroidalagonistsoffarnesoidXreceptor:Virtualscreening,synthesis,andbiologicalevaluation.BioorgMedChemLett,2008,18,5497-5502.(?equalcontribution)
lWeihuaLi,HongLiu,XiaominLuo,WeiliangZhu,YunTang,JamesR.Halpert,andHualiangJiang.Possiblepathway(s)ofmetyraponeegressfromtheactivesiteofcytochromeP4503A4:Amoleculardynamicssimulation.DrugMetabDispos,2007,35,689-696.
lWeihuaLi,HongLiu,EmilyE.Scott,FraukeGrater,JamesR.Halpert,XiaomingLuo,JianhuaShen,andHualiangJiang.Possiblepathway(s)oftestosteroneegressfromtheactivesiteofcytochromeP4502B1:Asteeredmoleculardynamicssimulation.DrugMetabDispos,2005,33,910-919.