Jian Wan

发表

Pharmacophore-Based Virtual Screening and Experimental Validation of Novel Inhibitors against Cyanobacterial Fructose-1, 6-/Sedoheptulose-1, 7-bisphosphatase

Di Wu, Rui Zhang, Yao Sun, 2014, J. Chem. Inf. Model..

Structural and biochemical characterization of fructose‐1,6/sedoheptulose‐1,7–bisphosphatase from the cyanobacterium Synechocystis strain 6803

Yao Sun, Ding Li, Lingling Feng, 2014, The FEBS journal.

Study on the interaction between cyanobacteria FBP/SBPase and metal ions.

Ding Li, Lingling Feng, Jian Wan, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Exploring the possible binding mode of trisubstituted benzimidazoles analogues in silico for novel drug designtargeting Mtb FtsZ

Jian Wan, Ding Li, Wei-wei Wang, 2016, Medicinal Chemistry Research.

Design, synthesis and algicides activities of thiourea derivatives as the novel scaffold aldolase inhibitors.

Lingling Feng, Yanliang Ren, Jian Wan, 2019, Bioorganic & medicinal chemistry.

Discovery of novel allosteric site and covalent inhibitors of FBPase with potent hypoglycemic effects.

Lingling Feng, Yanliang Ren, Jian Wan, 2019, European journal of medicinal chemistry.

Conformation Search Across Multiple-Level Potential-Energy Surfaces (CSAMP): A Strategy for Accurate Prediction of Protein-Ligand Binding Structures.

Jian Wan, Li Rao, Yanliang Ren, 2019, Journal of chemical theory and computation.

Clarifying and illustrating the electronic energy transfer pathways in trimeric and hexameric aggregation state of cyanobacteria allophycocyanin within the framework of Förster theory

Lingling Feng, Yanliang Ren, Jian Wan, 2015, J. Comput. Chem..

Design, synthesis and molecular modeling of novel N-acylhydrazone derivatives as pyruvate dehydrogenase complex E1 inhibitors.

Lingling Feng, Yanliang Ren, Jian Wan, 2014, Bioorganic & medicinal chemistry.

N-Acylamino Saccharin as an Emerging Cysteine-Directed Covalent Warhead and Its Application in the Identification of Novel FBPase Inhibitors toward Glucose Reduction.

Yanliang Ren, Jian Wan, Chen Su, 2022, Journal of medicinal chemistry.

Structure-Based Rational Design of Novel Inhibitors Against Fructose-1,6-Bisphosphate Aldolase from Candida albicans

Lingling Feng, Yanliang Ren, Jian Wan, 2017, J. Chem. Inf. Model..

Optimised expression and spectral analysis of the target enzyme CYP51 from Penicillium digitatum with possible new DMI fungicides.

Jian Wan, Yongze Yuan, Li Zhao, 2010, Pest Management Science.

A DFT-based QSARs study of protoporphyrinogen oxidase inhibitors: phenyl triazolinones.

Jian Wan, Guangfu Yang, Li Zhang, 2004, Bioorganic & medicinal chemistry.

In silico screening of a novel scaffold for fructose-1,6-bisphosatase (FBPase) inhibitors.

Lingling Feng, Yanliang Ren, Jian Wan, 2019, Journal of molecular graphics & modelling.

Readily tunable and bifunctional L-prolinamide derivatives: design and application in the direct enantioselective Aldol reactions.

Jian Wan, W. Xiao, Jia‐Rong Chen, 2005, Organic letters.

Structure-based design and synthesis of novel dual-target inhibitors against cyanobacterial fructose-1,6-bisphosphate aldolase and fructose-1,6-bisphosphatase.

Jian Wan, Lingling Feng, Yanliang Ren, 2013, Journal of agricultural and food chemistry.

Design and syntheses of novel N'-((4-oxo-4H-chromen-3-yl)methylene)benzohydrazide as inhibitors of cyanobacterial fructose-1,6-/sedoheptulose-1,7-bisphosphatase.

Ding Li, Lingling Feng, Yanliang Ren, 2013, Bioorganic & medicinal chemistry.

Phototandem catalysis: efficient synthesis of 3-ester-3-hydroxy-2-oxindoles by a visible light-induced cyclization of diazoamides through an aerobic oxidation sequence.

Jian Wan, Jia-Rong Chen, Wen-Jing Xiao, 2015, Chemistry, an Asian journal.

Quantitative Structure-Activity Relationship for Cyclic Imide Derivatives of Protoporphyrinogen Oxidase Inhibitors: A Study of Quantum Chemical Descriptors from Density Functional Theory

Li Zhang, Jian Wan, Guangfu Yang, 2004, J. Chem. Inf. Model..

Molecular docking and three-dimensional quantitative structure-activity relationship studies on the binding modes of herbicidal 1-(substituted phenoxyacetoxy)alkylphosphonates to the E1 component of pyruvate dehydrogenase.

Jian Wan, Jian Wan, Tao Wang, 2007, Journal of agricultural and food chemistry.

Structure-based rational quest for potential novel inhibitors of human HMG-CoA reductase by combining CoMFA 3D QSAR modeling and virtual screening.

Xin Xu, Jian Wan, Yanliang Ren, 2007, Journal of combinatorial chemistry.

Synthesis and antifungal activity of 5-iodo-1,4-disubstituted-1,2,3-triazole derivatives as pyruvate dehydrogenase complex E1 inhibitors.

Lingling Feng, Jian Wan, Junbo He, 2015, Bioorganic & medicinal chemistry.

Design, synthesis and biological evaluation of novel 2-methylpyrimidine-4-ylamine derivatives as inhibitors of Escherichia coli pyruvate dehydrogenase complex E1.

Lingling Feng, Yanliang Ren, Jian Wan, 2012, Bioorganic & medicinal chemistry.

Quantitative structure–activity relationships for phenyl triazolinones of protoporphyrinogen oxidase inhibitors: A density functional theory study

Li Zhang, Guangfu Yang, Jian Wan, 2004, J. Comput. Chem..

Design, synthesis and molecular docking of amide and urea derivatives as Escherichia coli PDHc-E1 inhibitors.

Lingling Feng, Yanliang Ren, Jian Wan, 2014, Bioorganic & medicinal chemistry.

Structure-based rational design of novel hit compounds for pyruvate dehydrogenase multienzyme complex E1 components from Escherichia coli.

Lingling Feng, Yanliang Ren, Jian Wan, 2011, Bioorganic & medicinal chemistry.

Development of disulfide-derived fructose-1,6-bisphosphatase (FBPase) covalent inhibitors for the treatment of type 2 diabetes.

Yanliang Ren, Jian Wan, Jian Li, 2020, European journal of medicinal chemistry.

Specific inhibitions of annonaceous acetogenins on class II 3-hydroxy-3-methylglutaryl coenzyme A reductase from Streptococcus pneumoniae.

Jun Li, Jie Gui, Yao Sun, 2011, Bioorganic & medicinal chemistry.

Synthesis and conformation studies of multiple bridged p-tert-butylcalix[7]arene diphosphates

Jian Wan, Haibing Li, Yuanyin Chen, 2008 .

The design, synthesis and biological evaluation of novel thiamin diphosphate analog inhibitors against the pyruvate dehydrogenase multienzyme complex E1 from Escherichia coli.

Lingling Feng, Yanliang Ren, Jian Wan, 2014, Organic & biomolecular chemistry.

Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis.

Yanliang Ren, Jian Wan, Chen Su, 2022, Journal of medicinal chemistry.

Binding model construction of antifungal 2-aryl-4-chromanones using CoMFA, CoMSIA, and QSAR analyses.

Guang-Fu Yang, Chang-Guo Zhan, Jian Wan, 2005, Journal of agricultural and food chemistry.

Expression, purification, characteristics and homology modeling of the HMGS from Streptococcus pneumoniae.

Jian Wan, Chen Li, Qingye Zhang, 2009, Biomedical and environmental sciences : BES.

Rational Design Based on Bioactive Conformation Analysis of Pyrimidinylbenzoates as Acetohydroxyacid Synthase Inhibitors by Integrating Molecular Docking, CoMFA, CoMSIA, and DFT Calculations

Li Zhang, Yan-Zhen He, Yuan-Xiang Li, 2007, J. Chem. Inf. Model..

Identification and Analysis of Small Molecule Inhibitors of CRISPR-Cas9 in Human Cells

Yanliang Ren, Jian Wan, Fen Wan, 2022, Cells.

Cov_FB3D: A De Novo Covalent Drug Design Protocol Integrating the BA-SAMP Strategy and Machine-Learning-Based Synthetic Tractability Evaluation

Kai Liu, Rongrong Song, Li Rao, 2020, J. Chem. Inf. Model..

Synthesis and biological evaluation of novel inhibitors against 1,3,8-trihydroxynaphthalene reductase from Magnaporthe grisea.

Lingling Feng, Yanliang Ren, Jian Wan, 2016, Bioorganic & medicinal chemistry.

Necroptosis Induced by Ruthenium(II) Complexes as Dual Catalytic Inhibitors of Topoisomerase I/II

Jian Wan, L. Ji, Yu Chen, 2020, Angewandte Chemie.

Necroptosis Induced by Ruthenium(II) Complexes as Dual Catalytic Inhibitors of Topoisomerase I/II.

Jian Wan, L. Ji, H. Chao, 2020, Angewandte Chemie.

Simultaneous Microcystin Degradation and Microcystis Aeruginosa Inhibition with Single Enzyme Microcystinase A.

Lingling Feng, Jian Wan, Lei Liu, 2020, Environmental science & technology.

Expression and homology modelling of sterol 14alpha-demethylase of Magnaporthe grisea and its interaction with azoles.

Jian Wan, Min Xiao, Wenjing Xiao, 2009, Pest management science.

[Analysis of gene structure, cloning and expression of cyp51 from Ustilago maydis].

Jian Wan, Q. Gao, Chen Li, 2008, Sheng wu gong cheng xue bao = Chinese journal of biotechnology.

Implementation of CCNUGrid-Based Drug Virtual Screening Applications Using Workflow Techniques

Peng Xie, Jian Wan, Guangfu Yang, 2006, 2006 Fifth International Conference on Grid and Cooperative Computing Workshops.

Binding Interaction Analysis of the Active Site and Its Inhibitors for Neuraminidase (N1 Subtype) of Human Influenza Virus by the Integration of Molecular Docking, FMO Calculation and 3D-QSAR CoMFA Modeling

Deli Liu, Shao Yang, Jian Wan, 2008, J. Chem. Inf. Model..

Chiral RuII-PtII Complexes Inducing Telomere Dysfunction against Cisplatin-Resistant Cancer Cells.

Jian Wan, L. Ji, Yu Chen, 2022, Angewandte Chemie.

Time-dependent density functional theory investigation of electronic excited states of tetraoxaporphyrin dication and porphycene

Yanliang Ren, Jian Wan, Xin Xu, 2004 .

Understanding the electronic energy transfer pathways in the trimeric and hexameric aggregation state of cyanobacteria phycocyanin within the framework of Förster theory

Yongjian Li, Ying Zhang, Xin Xu, 2013, J. Comput. Chem..

Expression and homology modeling of sterol 14alpha-demethylase from Penicillium digitatum.

Jian Wan, Wenjing Xiao, Li Zhao, 2007, FEMS microbiology letters.

Cov_DOX: A Method for Structure Prediction of Covalent Protein-Ligand Bindings.

Yanliang Ren, Jian Wan, Li Rao, 2022, Journal of medicinal chemistry.

DOX: A new computational protocol for accurate prediction of the protein–ligand binding structures

Yongjian Li, Xin Xu, Bo Chi, 2016, J. Comput. Chem..

Expression and Homology Modeling of Sterol 14alpha-Demethylase from Magnaporthe Grisea

Jian Wan, Zhibo Cai, Xiao Wenjing, 2008, 2008 2nd International Conference on Bioinformatics and Biomedical Engineering.

Structure-Based Design and Screen of Novel Inhibitors for Class II 3-Hydroxy-3-methylglutaryl Coenzyme A Reductase from Streptococcus Pneumoniae

Yang Zhang, Yao Sun, Zhigang Chen, 2012, J. Chem. Inf. Model..

Purification, crystallization and preliminary X-ray analysis of 3-hydroxy-3-methylglutaryl-coenzyme A reductase of Streptococcus pneumoniae.

Jie Gui, Jian Wan, Lingling Feng, 2010, Acta crystallographica. Section F, Structural biology and crystallization communications.

Homology Modeling and Activity Analysis of the HMG-CoA Reductase from Streptococcus Pneumoniae

Jian Wan, Qingye Zhang, Deli Liu, 2008, 2008 2nd International Conference on Bioinformatics and Biomedical Engineering.

Structural and Functional Analyses of a Sterol Carrier Protein in Spodoptera litura

Ding Li, Jian Wan, Q. Feng, 2014, PloS one.

DOX_BDW: Incorporating Solvation and Desolvation Effects of Cavity Water into Nonfitting Protein-Ligand Binding Affinity Prediction

Yanliang Ren, Jian Wan, Li Rao, 2023, J. Chem. Inf. Model..

DOX: A new computational protocol for accurate prediction of the protein–ligand binding structures

Yanliang Ren, Jian Wan, Bo Chi, 2016, J. Comput. Chem..

Design, synthesis and molecular modeling of novel N-acylhydrazone derivatives as pyruvate dehydrogenase complex E1 inhibitors.

Lingling Feng, Yanliang Ren, Jian Wan, 2014, Bioorganic & medicinal chemistry.

New insight into the binding modes of TNP-AMP to human liver fructose-1,6-bisphosphatase.

Lingling Feng, Yanliang Ren, JiangTao Feng, 2016, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Identification of the new covalent allosteric binding site of FBPase with disulfiram derivatives toward glucose reduction.

Lingling Feng, Yanliang Ren, Jian Wan, 2020, Journal of medicinal chemistry.

Reduction in SBPase Activity by Antisense RNA in Transgenic Rice Plants: Effect on Photosynthesis, Growth, and Biomass Allocation at Different Nitrogen Levels

Ding Li, Lingling Feng, Jian Wan, 2009, Journal of Plant Biology.

Understanding the electronic energy transfer pathways in the trimeric and hexameric aggregation state of cyanobacteria phycocyanin within the framework of Förster theory

Ding Li, Lingling Feng, Yanliang Ren, 2013, J. Comput. Chem..

Structure-Based Rational Screening of Novel Hit Compounds with Structural Diversity for Cytochrome P450 Sterol 14α-Demethylase from Penicillium digitatum

Jie Zhang, Zhigang Chen, Ding Li, 2010, J. Chem. Inf. Model..