个人简介
学习经历:
2001.09-2006.07湖南大学化学化工学院,硕博连读,博士
1997.09-2001.07湖南大学化学化工学院,本科
工作经历:
2019.06-南方医科大学药学院,教授
2013.12-2019.06南方医科大学药学院,副教授
2006.12-2013.12南方医科大学药学院,讲师
承担课程:
《药物化学》,《药物设计学》,《计算机辅助药物设计》(研究生课程)
主要科研课题:
1.国家自然科学基金面上基金(81872740),可克服T790M和C797S耐药的EGFR变构抑制剂的设计、合成及生物活性评价,2019.1-2022.12,项目负责人。
2.国家自然科学基金青年基金(81202413),靶向VEGFR-2的II型小分子抑制剂的设计、合成及构效关系研究,2013.1-2015.12,项目负责人,已结题。
研究领域
计算机辅助的小分子酪氨酸激酶抑制剂的设计合成及生物活性评价
近期论文
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主要论著:
1.WanShanhe,YanRuohong,JiangYing,LiZhonghuang,ZhangJiajie*,WuXiaoyun*.InsightintobindingmechanismsofEGFRallostericinhibitorsusingmoleculardynamicssimulationsandfreeenergycalculations.JBiomolStructDyn,2019:37(16):4384-94.
2.TianYuanxin,ZhangTtingting,LongLifan,ZhonghuangLi,ShanheWan,GuangfaWang,YonghuanYu,JuHou,XiaoyunWu*,JiajieZhang*.Design,synthesis,biologicalevaluationandmolecularmodelingofnovel2-amino-4-(1-phenylethoxy)pyridinederivativesaspotentialROS1inhibitors.EurJMedChem,2018:143:182-99.
3.WangYuanyuan,WanShanhe,LiZhonghuang,YuFu,GuangfaWang,JiajieZhang*,XiaoyunWu*.Design,synthesis,biologicalevaluationandmolecularmodelingofnovel1H-pyrazolo[3,4-d]pyrimidinederivativesasBRAFV600EandVEGFR-2dualinhibitors.EurJMedChem,2018;155:210-28.
4.WuXiaoyun*,WangYuanyuan,WanShanhe,ZhangJiajie*.Investigationonthebindingmechanismofloratinibwiththec-rosoncogene1(ROS1)receptortyrosinekinaseviamoleculardynamicssimulationandbindingfreeenergycalculations.JBiomolStructDyn,2018,36(12):3106-13.
5.WuXiaoyun*,FuYu,WangYuanyuan,WanShanhe,ZhangJiajie*.ComputationalinvestigationoninhibitionmechanismofBRAFV600EbyVemurafenib(PLX4032)anditsanaloguePLX4720.MedChemRes,2017,26(2):390-6.
6.FuYu,WangYuanyuan,WanShanhe,ZhonghuangLi,GuangfaWang,JiajieZhang*andXiaoyunWu*.BisarylureasBasedon1H-Pyrazolo[3,4-d]pyrimidineScaffoldasNovelPan-RAFInhibitorswithPotentAnti-ProliferativeActivities:Structure-BasedDesign,Synthesis,BiologicalEvaluationandMolecularModellingStudies.Molecules,2017,22(4):542.
7.WuXiaoyun,FuYu,WangYuanyuan,WanShanhe,ZhangJiajie.GaininginsightintocrizotinibresistancemechanismscausedbyL2026MandG2032RmutationsinROS1viamoleculardynamicssimulationsandfree-energycalculations.JMolModel,2017,23(4):141-6.
8.HouJu,WanShanhe,WangGuangfa,ZhangTingting,LiZhonghuang,TianYuanxin,YuYonghuan,WuXiaoyun**,ZhangJiajie*.Design,synthesis,anti-tumoractivity,andmolecularmodelingofquinazolineandpyrido[2,3-d]pyrimidinederivativestargetingepidermalgrowthfactorreceptor.EurJMedChem,2016,118:276-289.
9.WuXiaoYun∗,WanShanHe,WangGuangFa,JinHong,LiZhongHuang,TianYuanXin,ZhuZhengGuang,ZhangJiaJie∗.MoleculardynamicssimulationandfreeenergycalculationstudiesofkinaseinhibitorsbindingtoactiveandinactiveconformationsofVEGFR-2.JMolGraphModel,2015,56:103–112.