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 Xiao-Lei Zhu, Ph.D.Associate Professor
Room 631, College of Chemistry
Central China Normal University
152 Luoyu Road, Wuhan Hubei Province
P. R. China 430079


Office:Chemistry Building, Room 631
Mobile: +86-15327348018


Ph.D.   Pesticide Chemistry,Central China Normal University (December 2008)
B.S.     Chemistry, AnQing Normal University.(June 2003).


2012 Excellent Poster Award of the 4th “Pesticide and Environmental Security” InternationalAcademic Forum, 5th “Pan-Pacific Pesticide Scientific Conference”& 8th “Plant Chemical Protection and Global Regulation Integration” International Forum
2008 Excellent Poster Award of the International Conference on Theoretical & High Performance Computational Chemistry


Computational biology


A.Peer-Reviewed Publications

  1. Zhu,X. L.; Yu, N. X.; Hao,G.F.; Yang, W. C.; Yang, G. F*. Structural basis of femtomolar inhibitorsfor acetylcholinesterase subtype selectivity: Insights from computationalsimulations. J. Mol Grap Model. 2013, 41, 55-60.
  2. Zhu,X. L.;Yang, G. F*. A Comparative Studyof Drug Resistance Mechanism Associated with Active Site and Non-Active SiteMutations: I388N and D425GMutants of Acetyl-Coenzyme-A. Carboxylase.Curr Comput-Aided Drug Des, 2012,8, 62-69.
  3. Zhu, X. L.; Wang, F.; Li, H.; Yang, W. C.; Chen, Q.; Yang, G. F*.Design, Synthesis, and Bioevaluation ofNovel Strobilurin Derivatives.Chin. J. Chem. 2012, 30,1999-2008
  4. Zhu,X. L.; Yang, W. C.; Yu, N.X.; Yang, S. G.; Yang, G. F*. Computational Simulations of StructuralRole of the Active-site W374CMutation of Acetyl-Coenzyme-A Carboxylase: Multi-drug Resistance Mechanism.J. Mol. Model. 2011, 17,495-503.
  5. Zhu,X. L.; Hao, G. F.; Zhan,C. G.;* Yang, G. F*.Computational Simulations of the Interactions between Acetyl-Coenzyme-ACarboxylase and Clodinafop: Resistance Mechanism Due to Active and NonactiveSite Mutations. J. Chem. Inf. Model. 2009, 49, 1936-1943.
  6. Zhu, X. L.; Wang, H. B.; Chen, Q.; Yang, W. C.; Yang, G. F*. Preparation and Characterization of Inclusion Complex of Iprodione andα-Cyclodextrin to Improve Fungicidal Activity.J. Agric. Food Chem. 2007,55, 3535-3539.
  7. Zhu, X. L.; Zhang, L.; Chen, Q.; Wan, J.; Yang, G. F*.Interactionsof Aryloxyphenoxy- propionic Acids with Sensitive and Resistant Acetyl-CoenzymeA Carboxylase by Homology Modeling and Molecular Dynamic Simulations. J.Chem. Inf. Model. 2006, 46, 1819-1826.
  8. Zhan,Junyan; Zhu, Xiao lei; Fang, Fei; Miao, Fajun; Tian, Demei;Li, Haibing*.  Sensitive fluorescence sensor for nitroaniline isomersbased on calix[4]arene bearing naphthyl groups. Tetrahedron, 2012, 68, 5579-5582.
  9. Zhang, G. F.; Zhu, X. L.;Miao, F. J.; Tian, D. M.; Li, H. B*. Design ofswitchable wettability sensor for paraquat based on clicking calix[4]arene. Org Biomol Chem, 2012, 10, 3185-3188. 
  10. Huang, Tong-Hui; Zhu, Xiao-Lei; Zhang,Ai-Dong*; Tu, Hai-Yang. Facile Synthesis of Alternating Benzene-PyrroleOligomers by Cyclization of Propargylic Dithioacetals and Imines and TheirFluorescent Properties.Eur. J. Med. Chem2011, 24,4588-4594.
  11. Hao,G. F., Zhu, X. L.; Ji, F. Q.; Zhang, L.; Yang, G. F.; Zhan, C. G.Understanding Mechanism of Drug Resistance Due to a Codon Deletion inProtoporphrinogen Oxidase through Computational Modeling. J. Phys. Chem. B,2009, 113, 4865-4875
  12. Chen,Q.; Zhu, X. L.; Jiang, L. L.; Liu, Z. M.; Yang, G. F. Synthesis,Antifungal Activity and CoMFA Analysis of Novel 1,2,4-Triazolo[1,5-a]PyrimidineDerivatives. Eur. J. Med. Chem. 2008, 43,595-603.
  13. Hao,G. F., Wang, F.; Li, H.; Zhu, X. L.; Yang, W. C.;Huang, L.S.; Wu, J.W.;Berry. E. A.; Yang, G. F*. Computational Discovery of Picomolar Qo SiteInhibitors of Cytochrome bc1 Complex.J. Am. Chem. Soc.2012,134, 11168-11176.
  14. Zhao,P. L.; Wang, L.; Zhu, X. L.; Huang, X.; Zhan, C. G.; Wu, J. W.; Yang, G.F. Subnanomolar Inhibitor of Cytochrome bc1 Complex Designed by OptimizingInteraction with Conformationally Flexible Residues. J. Am. Chem. Soc. 2010,132, 185-194.
  15. Jiang,L. L.; Tan, Y.; Zhu, X. L.; Wang, Z. F.; Zuo, Y.; Chen, Q.; Xi, Z.;Yang, G. F. Design, Synthesis and 3D-QSAR Analysis of Novel1,3,4-Oxadiazol-2(3H)-ones as Protoporphyrinogen oxidase Inhibitors. J.Agric. Food Chem2010, 58, 2643-2651.
  16. Tan,Shi-Miao; Jiao, Jian; Zhu, Xiao-Lei; *Zhou, Yan-Ping; Song,Dan-Dan; Gong, Hong; Yu, Ru-Qin QSAR studies of adiverse series of antimicrobial agents against Candida albicans byclassification and regression trees.Chemometricsand Intelligent Laboratory Systems, 2010, 103, 184-190.
  17. He, Y.Z.; Li, Y. X.; Zhu, X. L.; Xi, Z.; Niu, C. W.; Zhang, L.; Yang, G. F.*Rational Design and Interaction Mechanism of Pyrimidinylbenzoates with Acetohydroxyacid Synthase Based on Bioactive Conformation Analysis by Integrating Molecular Docking, CoMFA, CoMSIA and DFT Calculations. J. Chem.Inf. Model2007, 47, 2335-2344.

B. Book Chapters

XiaoLei Zhu etc. Chapter 14 New Heterocyclic Pesticide: Insecticide. edited by Bao-An Song, Chemical Industry Press, Beijing, 2010

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Key Laboratory of Pesticide & Chemical Biology of Ministry of Education
College of Chemistry · Central China Normal University

Last update: Aug 20, 2016 · By: Chengzhang Li