研究队伍
姓名:
　朱维良性别:
　男
职称:
　研究员学历:
　博士
电话:
　021－50806600转1205传真:
　
电子邮件:
　wlzhu@mail.shcnc.ac.cn个人主页:
　
通讯地址:
　上海市祖冲之路555号　201203

简历：
1998年4月毕业于中国科学院上海药物研究所，获博士学位。现任中国科学院上海药物研究所研究员、博士生导师、课题组长。2004年3月获得“引进国外杰出人才”入选资格，2005年8月获得中国科学院“百人计划”择优资助，2006年8月获上海市“浦江人才”称号。曾任扬州大学农学院助教、讲师，新加坡理工学院（SingaporePolytechnic）生命科学系及生命科学技术中心讲座讲师（VisitingLecturer）及讲师（Lecturer)。

研究方向：
药物设计、计算生物物理化学、计算化学

专家类别：
研究员；百人计划

职务：
中科院上海药物所研究员、博士生导师、研究组长、药物发现与设计中心主任

科研成果：


承担科研项目情况：
主持了“863”项目、国家科技攻关项目、国家自然科学基金、中国科学院“百人计划”课题、上海市科委基础重大基金等科研项目，研究工作涉及计算生物物理化学、药物设计学和计算化学等领域。

社会任职：


获奖及荣誉：


代表论著：
课题组成立以来共发表SCI研究论文100余篇，递交专利申请34件，应邀在国内外学术大会上做报告30余次，参加编写及翻译专著5部。近5年发表的部分论文如下：

1. JingDeng,NingLi,HongchuanLiu,ZhiliZuo,OiWahLiew,WeijunXu,GangChen,XiankunTong,WeiTang*,JinZhu,JianpingZuo,HualiangJiang,Cai-GuangYang*,JianLi*,WeiliangZhu*,DiscoveryofNovelSmallMoleculeInhibitorsofDengueViralNS2BNS3ProteaseUsingVirtualScreeningandScaffoldHopping,J.Med.Chem.2012,55,6278-6293
   
2. YunxiangLu,YingtaoLiu,HaiyingLi,XiangZhu,HonglaiLiu,andWeiliangZhu,EnergeticEffectsbetweenHalogenBondsandAnion-πorLonePair-πInteractions:ATheoreticalStudy,TheJournalofPhysicalChemistryA,2012116(10),2591-2597
   
3. JinweiWu,PengSun,XiaodongZhang,HongLiu,HualiangJiang,WeiliangZhu,HeyaoWang*.InhibitionofGPR40protectsMIN6β-cellsfrompalmitate-inducedERstressandapoptosis.JournalofCellularBiochemistry.2012Apr;113(4):1152-8.
   
4. DiWang,FeiWang,YexiongTan,LiweiDong,LeiChen,WeiliangZhu*,HongyangWang*,DiscoveryofpotentsmallmoleculeinhibitorsofDYRK1Abystructure-basedvirtualscreeningandbioassay,Bioorganic&MedicinalChemistryLetters,2012,22,168–171
   
5. YunxiangLu*,HaiyingLi,XiangZhu,HonglaiLiu,WeiliangZhu,Effectsofsolventonweakhalogenbonds:Densityfunctionaltheorycalculations,InternationalJournalofQuantumChemistry,2011DOI:10.1002/qua.23125
   
6. Xue-lianZhu,Hai-yanCai,Zhi-jianXu,YongWang,He-yaoWang,AoZhangandWei-liangZhu*.Classificationof5-HT(1A)receptoragonistsandantagonistsusingGA-SVMmethod.ActaPharmacolSin.,2011,32,1424–1430
   
7. LuJunming,LuYunxiang,YangSubin,ZhuWeiliang*,TheoreticalandcrystallographicdatainvestigationsofnoncovalentS···Ointeractions,StructuralChemistry,2011,24,757-763
   
8. LuY*,LiH,ZhuX,ZhuW,LiuH.Howdoeshalogenbondingbehaveinsolution?Atheoreticalstudyusingimplicitsolvationmodel.J.PhysChemA.2011,115(17),4467-75
   
9. ZhijianXu¹,ZhengLiu¹,TongChen¹,TiantianChen,ZhenWang,GuanghuiTian,JingShi,XuelanWang,YunxiangLu,XiuhuaYan,GuanWang,HualiangJiang,KaixianChen,ShudongWang,YechunXu*,JingshanShen*,WeilangZhu*,UtilizationofHalogenBondinLeadOptimization:aCaseStudyofRationalDesignofPotentPhosphodiesteraseType5(PDE5)Inhibitors,J.Med.Chem.,2011,54(15),5607–5611
   
10. JunmingLu,BoZhang,QingmingDeng,JinanWang,YunxiangLu*,WeiliangZhu*,TheNatureandMagnitudeofSpecificHalogenBondsbetweenIodo-perfluorobenzeneandHeterocyclicSystems,InternationalJournalofQuantumChemistry,2011,111,2352-2358.
    
11. JinanWang,HuaiyuYang,ZhiliZuo,XiuhuaYan,YongWang,XiaominLuo,HualiangJiang,KaixianChen,WeiliangZhu*,MolecularDynamicsSimulationsontheMechanismofTransportingMethylamineandAmmoniabyAmmoniumTransporterAmtB,J.Phys.Chem.B,2010,114,15172–15179.
    
12. WeijunXun;GangChen;WeiliangZhu*,ZhiliZuo*,MoleculardockingandStructure-ActivityRelationshipStudiesonBenzothiazolebasednon-peptidicBACE-1inhibitors,Bioorganic&MedicinalChemistryLetters,2010,20,6203-6207
    
13. XiaodongZhang,GuiruiYan,YimingLi,WeiliangZhu*andHeyaoWang*,DC260126,asmall-molecularantagonistofGPR40,improvesinsulintolerancebutnotglucosetoleranceinobeseZuckerrats,Biomedicine&Pharmacotherapy,2010,64(9),647-651
    
14. WeijunXu,GangChen,HualiangJiang,WeiliangZhu*,ZhiliZuo*,Identificationofasub-micromolarNonpeptideInhibitorofβ-secretasewithlowneuralcytotoxicitythroughIn-silicoScreening,Bioorganic&MedicinalChemistryLetters,2010,20,5763-5766.
    
15. HaiyanCai,GuiruiYan,XiaodongZhang,OlenaGorbenko,HeyaoWang*,WeiliangZhu*,Discoveryofhighlyselectiveinhibitorsofhumanfattyacidbindingprotein4(FABP4)byvirtualscreening,Bioorganic&MedicinalChemistryLetters,2010,20(12),3675-9
    
16. JunmingLu,YunxiangLu*,WeiliangZhu,NovelhalogenbondinginteractionsbetweenMH2(M=Mg,Be)andHX(X=Cl,Br,I)molecules,JournalofMolecularStructure:THEOCHEM,2010,952,84-89.
    
17. Shao-YongLu,Yong-JunJiang*,JingLv,Tian-XingWu,Qing-SenYu,Wei-LiangZhu,*MoleculardockingandmoleculardynamicssimulationstudiesofGPR40receptor–agonistinteractions,JournalofMolecularGraphicsandModelling,2010,28,766–774.
    
18. YunxiangLu,YongWangandWeiliangZhu*,Nonbondinginteractionsoforganichalogensinbiologicalsystems:implicationsfordrugdiscoveryandbiomoleculardesign,PhysicalChemistryChemicalPhysics,2010,12,4543-4551.
    
19. ZhiChen,GuanghuiTian,ZhenWang,HualiangJiang,JingshanShen*,andWeiliangZhu*,MultiplePharmacophoreModelsCombinedwithMolecularDocking:AReliableWayforEfficientlyIdentifyingNovelPDE4InhibitorswithHighStructuralDiversity,J.Chem.Inf.Model.,2010,50,615-625
    
20. NanLi,FeiWang,SiqiangNiu,JuCao,KaifengWu,YouqiangLi,NanlinYin,XuemeiZhang,WeiliangZhuandYibingYin,DiscoveryofnovelinhibitorsofStreptococcuspneumoniaebasedonthevirtualscreeningwiththehomology-modeledstructureofhistidinekinase(VicK),BMCMicrobiology,2009,27,129.
    
21. HuiHu,LingyanHe,ZhenGong,NingLi,YinaLuQiweiZhai,HongLiu,HualiangJiang,WeiliangZhu,*HeyaoWang*,AnovelclassofantagonistsfortheFFAsreceptorGPR40,BiochemBiophysResCommun,2009,390(3),557-63
    
22. KunqianYu,ChengLuo,GuangrongQin,ZhijianXu,NingLi,HongLiu,XuShen,JianpengMa,QinghuaWang,CaiguangYang,WeiliangZhu*,HualiangJiang*,WhyareoseltamivirandzanamivireffectiveagainstthenewlyemergedinfluenzaAvirus(A/H1N1)?,CellResearch,2009,10,1038
    
23. YunxiangLu,YongWang,ZhijianXu,XiuhuaYan,XiaomingLuo,HualiangJiang,andWeiliangZhu*,C?X???HContactsinBiomolecularSystems:HowTheyContributetoProtein-LigandBindingAffinity?J.Phys.Chem.(B),2009,113,12615–12621.
    
24. YunxiangLu,TingShi,YongWang,HuaiyuYang,XiuhuaYan,XiaomingLuo,HualiangJiang,WeiliangZhu*,HalogenBonding—ANovelInteractionforRationalDrugDesign,J.Med.Chem.,2009,52,2854–2862.
    
25. ZhiliZuo,OiWahLiew,GangChen,PekChingJennyChong,SiewHuiLee,KaixianChen,HualiangJiang,ChumMokPuah*,WeiliangZhu*,MechanismofNS2B-mediatedactivationofNS3proinDengueVirus:MolecularDynamicsSimulationsandBioassayStudies,J.Virology,2009,83,1060-1070
    
26. WeijunXu,GangChen,OiWahLiew,ZhiliZuo*,HualiangJiang,WeiliangZhu*,Novelnon-peptideb-secretaseinhibitorsderivedfromstructure-basedvirtualscreeningandbioassayBioorganic&MedicinalChemistryLetters,2009,19,3188–3192
    
27. MingyueZheng,XiaominLuo,QianchengShen,YongWang,YunDu,WeiliangZhuandHualiangJiang,SiteofMetabolism(SOM)PredictionforSixBiotransformationsMediatedbyCytochromesP450,Bioinformatics,2009,25(10),1251–1258
    
28. 李波，朱维良*，陈凯先*，小檗碱及其衍生物的研究进展，药学学报，2008，43，773-787
    
29. LingyanHe,JiagaoCheng,TaoWang,CaimeiLi,ZhenGong,HongLiu*,Bu-BingZeng*,HualiangJiang,WeiliangZhu*,Cation–pcomplexesformedbetweencyclooctatetraeneandalkalineearthmetals:PredictedandrecordedNMRfeatures,ChemicalPhysicsLetters,2008,462,45–48.
    
30. Zhi-LiZUO,GangCHEN,Xiao-MinLUO,Chum-MokPUAH*,Wei-LiangZHU*,Kai-XianCHEN,Hua-LiangJIANG.Pharmacophore-DirectedHomologyModelingandMDSimulationofG-protein-CoupledReceptor:StudyofPossibleBindingModesofthe5-HT2CReceptorAgonists,ActaBiochimicaetBiophysicaSinica,2007,39,413-422.
    
31. WeiFu^1,3,JianhuaShen¹,XiaominLuo¹,WeiliangZhu¹*,JiagaoCheng¹,KunqianYu¹,JamesM.Briggs²,GuozhangJin¹,KaixianChen¹andHualiangJiang^1,4*,DopamineD1ReceptorAgonistandD2ReceptorAntagonistEffectsoftheNaturalProduct(-)-Stepholidine(SPD):MolecularModelingandDynamicsSimulations,BiophysicsJournal,2007,93,1431-1441
    
32. ZhiliZuo,ChenGang,HanjunZou,PuahChumMok,WeiliangZhu*,KaixianChen,HualiangJiang,.Whydoesβ-secretasezymogenpossesscatalyticactivity?Molecularmodelingandmoleculardynamicssimulationstudies,ComputationalBiologyandChemistry,2007,31,186–195
    
33. ChunshanGui,WeiliangZhu*,GangChen,XiaominLuo,OiWahLiew,ChumMokPuah,KaixianChen,andHualiangJiang*,UnderstandingtheRegulationMechanismsofPAFReceptorbyAgonistsandAntagonists:MolecularModelingandMolecularDynamicsSimulationStudies,Proteins:Structure,Function,andBioinformatics,2007,67,41–52
    
34. JiagaoCheng,ZhenGong,WeiliangZhu*,YunTang,WeihuaLi,ZhongLi,HualiangJiang*,Cationsittinginaromaticcages:abinitiocomputationalstudiesontetramethylamonium–(benzene)n(n=3-4)complexes,JOPC,2007,20,448-453
    
35. HuaiyuYang,YechunXu,WeiliangZhu*,KaixianChenandHualiangJiang*,DetailedMechanismforAmtBConductingNH4+/NH3:MolecularDynamicsSimulations,BiophysicsJournal,2007,92,877-885