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Kaixian Chen

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TOP 3
De-Tai Shi; Ya-Xi Yang; Bin Zhang; Guo-Rong Chen; Chu-Chu Guan; Xiao-Peng He; Yuan-Chao Li; Kaixian Chen
Bis-triazolyl indoleamines as unique "off-approach-on" chemosensors for copper and fluorine.
Haifeng Sun; Huicui Yang; Xuechu Zhen; Shengbin Zhou; Yu Zhou; Liyuan Zhu; Kaixian Chen; Bo Gao; Lin Guo; Hualiang Jiang; Zeng Li; Wangke Qian; Hong Liu
Asymmetric total synthesis and identification of tetrahydroprotoberberine derivatives as new antipsychotic agents possessing a dopamine D(1), D(2) and serotonin 5-HT(1A) multi-action profile.
Jiahui Wu; Niefang Yu; Dengyou Zhang; Fei Zhao; Dongying Chen; Kaixian Chen; Lei Chen; Xiaoyan Chen; Hualiang Jiang; Jianneng Li; Hong Liu; Chengqing Ning; Jianling Wang; Dongxiang Liu
Discovery and mechanism study of SIRT1 activators that promote the deacetylation of fluorophore-labeled substrate.

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All Publications

2013: De-Tai Shi; Ya-Xi Yang; Bin Zhang; Guo-Rong Chen; Chu-Chu Guan; Xiao-Peng He; Yuan-Chao Li; Kaixian Chen
Bis-triazolyl indoleamines as unique "off-approach-on" chemosensors for copper and fluorine.
The Analyst 2013;138(10):2808-11.
2013: Haifeng Sun; Huicui Yang; Xuechu Zhen; Shengbin Zhou; Yu Zhou; Liyuan Zhu; Kaixian Chen; Bo Gao; Lin Guo; Hualiang Jiang; Zeng Li; Wangke Qian; Hong Liu
Asymmetric total synthesis and identification of tetrahydroprotoberberine derivatives as new antipsychotic agents possessing a dopamine D(1), D(2) and serotonin 5-HT(1A) multi-action profile.
Bioorganic & medicinal chemistry 2013;21(4):856-68.
2013: Jiahui Wu; Niefang Yu; Dengyou Zhang; Fei Zhao; Dongying Chen; Kaixian Chen; Lei Chen; Xiaoyan Chen; Hualiang Jiang; Jianneng Li; Hong Liu; Chengqing Ning; Jianling Wang; Dongxiang Liu
Discovery and mechanism study of SIRT1 activators that promote the deacetylation of fluorophore-labeled substrate.
Journal of medicinal chemistry 2013;56(3):761-80.
2013: Jiahui Wu; Ming-Hua Xu; Kaixian Chen; Hualiang Jiang; Yi Li; Dongxiang Liu
Identification of benzofuran-3-yl(phenyl)methanones as novel SIRT1 inhibitors: binding mode, inhibitory mechanism and biological action.
European journal of medicinal chemistry 2013;60():441-50.
2012: Jia-Lu Xue; Jin-Wei Yang; Guo-Rong Chen; Chao-Ying Cheng; Xiao-Peng He; De-Tai Shi; Juan Xie; Kaixian Chen
Construction of triazolyl bidentate glycoligands (TBGs) by grafting of 3-azidocoumarin to epimeric pyranoglycosides via a fluorogenic dual click reaction.
Carbohydrate research 2012;363():38-42.
2012: Liang Chen; Qi Jia; Peng Sun; Heyao Wang; Ting Wang; Kaixian Chen; Yiming Li
Diverse mechanisms of antidiabetic effects of the different procyanidin oligomer types of two different cinnamon species on db/db mice.
Journal of agricultural and food chemistry 2012;60(36):9144-50.
2012: Qiancheng Shen; Mingyue Zheng; Weiliang Zhu; Kaixian Chen; Jing Lu; Cheng Luo; Xiaomin Luo; Hualiang Jiang
SOMEViz: a web service for site of metabolism estimating and visualizing.
Protein and peptide letters 2012;19(9):905-9.
2012: Yong Wang; Mingyue Zheng; Weiliang Zhu; Hualiang Jiang; Jing Lu; Xiaomin Luo; Qiancheng Shen; Fei Wang; Kaixian Chen
Estimation of carcinogenicity using molecular fragments tree.
Journal of chemical information and modeling 2012;52(8):1994-2003.
2012: Yong Zhang; Weiliang Zhu; Fujiang Guo; Qi Jia; Yiming Li; Peng Zeng; Kaixian Chen
[Phenolic components from Petasites tricholobus].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 2012;37(12):1782-7.
2012: Hai-Lin Zhang; Guo-Rong Chen; Qiong Deng; Xiao-Peng He; Yi-Tao Long; Kaixian Chen
Research on the structure-surface adsorptive activity relationships of triazolyl glycolipid derivatives for mild steel in HCl.
Carbohydrate research 2012;354():32-9.
2012: Dengyou Zhang; Lei Zhang; Yu Zhou; Haifeng Sun; Kaixian Chen; Hualiang Jiang; Chunpu Li; Hong Liu
An expedient Pd/DBU mediated cyanation of aryl/heteroaryl bromides with K4[Fe(CN)6].
Chemical communications (Cambridge, England) 2012;48(23):2909-11.
2011: Xiao-Peng He; Cui Li; Jia Li; Xiao-Xin Shi; Yun Tang; Zhi-Zhou Wang; Juan Xie; Guo-Rong Chen; Li-Xin Gao; Kaixian Chen
Discovering the distinct inhibitory effects between C4-epimeric glycosyl amino acids: new insight into the development of protein tyrosine phosphatase inhibitors.
Glycoconjugate journal 2011;28(7):493-7.
2011: Jing Lu; Xiaomin Luo; Qiancheng Shen; Yong Wang; Mingyue Zheng; Hualiang Jiang; Kaixian Chen
Fragment-based prediction of skin sensitization using recursive partitioning.
Journal of computer-aided molecular design 2011;25(9):885-93.
2011: Zhijian Xu; Xiuhua Yan; Kaixian Chen; Tong Chen; TianTian Chen; Hualiang Jiang; Zheng Liu; Yunxiang Lu; Jingshan Shen; Jing Shi; Guanghui Tian; Guan Wang; Shudong Wang; Xuelan Wang; Zhen Wang; Yechun Xu; Weiliang Zhu
Utilization of halogen bond in lead optimization: a case study of rational design of potent phosphodiesterase type 5 (PDE5) inhibitors.
Journal of medicinal chemistry 2011;54(15):5607-11.
2011: Xiao-Peng He; Cui Li; Jia Li; Xiao-Xin Shi; Yun Tang; Juan Xie; Wei Zhang; Yu-Bo Zhou; Guo-Rong Chen; Qiong Deng; Li-Xin Gao; Kaixian Chen
Facile fabrication of promising protein tyrosine phosphatase (PTP) inhibitor entities based on 'clicked' serine/threonine-monosaccharide hybrids.
Bioorganic & medicinal chemistry 2011;19(13):3892-900.
2011: Zhongjie Liang; Dengyou Zhang; Jing Ai; Limin Chen; Hengshuai Wang; Xiangqian Kong; Mingyue Zheng; Hong Liu; Cheng Luo; Meiyu Geng; Hualiang Jiang; Kaixian Chen
Identification and synthesis of N'-(2-oxoindolin-3-ylidene)hydrazide derivatives against c-Met kinase.
Bioorganic & medicinal chemistry letters 2011;21(12):3749-54.
2011: Diliang Guo; Tao Chen; Deju Ye; Jinyi Xu; Hualiang Jiang; Kaixian Chen; Hui Wang; Hong Liu
Cell-permeable iminocoumarine-based fluorescent dyes for mitochondria.
Organic letters 2011;13(11):2884-7.
2011: Jiang Wang; Lei Zhang; Kaixian Chen; Hualiang Jiang; Hong Liu
Application of nickel(II) complexes to the efficient synthesis of α- or β-amino acids.
Chimia 2011;65(12):919-24.
2011: Zhongjie Liang; Hong Liu; Cheng Luo; Xu Shen; Yuanyuan Wang; Mingyue Zheng; Kaixian Chen; Limin Chen; Cai Guang-Yang; Yao Hong; Xiangqian Kong; Lefu Lan; Keqin Kathy Li; Lianchun Li; Hualiang Jiang
Molecular basis of NDM-1, a new antibiotic resistance determinant.
PloS one 2011;6(8):e23606.
2010: Jinan Wang; Huaiyu Yang; Zhili Zuo; Xiuhua Yan; Yong Wang; Xiaomin Luo; Hualiang Jiang; Kaixian Chen; Weiliang Zhu
Molecular dynamics simulations on the mechanism of transporting methylamine and ammonia by ammonium transporter AmtB.
The journal of physical chemistry. B 2010;114(46):15172-9.
2010: Yiping Wang; M Zheng; J Xiao; Y Lu; F Wang; J Lu; Xiaomin Luo; Weiliang Zhu; H Jianga; Kaixian Chen
Using support vector regression coupled with the genetic algorithm for predicting acute toxicity to the fathead minnow.
SAR and QSAR in environmental research 2010;21(5-6):559-70.
2010: Yu Feng; Xiao Ding; Tao Chen; Lili Chen; Fang Liu; Xu Jia; Xiaomin Luo; Xu Shen; Kaixian Chen; Hualiang Jiang; Hui Wang; Hong Liu; Dongxiang Liu
Design, synthesis, and interaction study of quinazoline-2(1H)-thione derivatives as novel potential Bcl-xL inhibitors.
Journal of medicinal chemistry 2010;53(9):3465-79.
2010: He Huang; Qin Chen; Xin Ku; Linghua Meng; Liping Lin; Xiang Wang; Caihua Zhu; Yi Wang; Zhi Chen; Ming Li; Hualiang Jiang; Kaixian Chen; Jian Ding; Hong Liu
A series of alpha-heterocyclic carboxaldehyde thiosemicarbazones inhibit topoisomerase IIalpha catalytic activity.
Journal of medicinal chemistry 2010;53(8):3048-64.
2010: Chunyi Jiang; Yu Feng; Xiaotong Huang; Yechun Xu; Yaping Zhang; Naiming Zhou; Xu Shen; Kaixian Chen; Hualiang Jiang; Dongxiang Liu
An enzyme-linked immunosorbent assay to compare the affinity of chemical compounds for β-amyloid peptide as a monomer.
Analytical and bioanalytical chemistry 2010;396(5):1745-54.
2010: Lei Chen; Yu Feng; Yinqiu Zhou; Weiliang Zhu; Xu Shen; Kaixian Chen; Hualiang Jiang; Dongxiang Liu
Dual role of Zn2+ in maintaining structural integrity and suppressing deacetylase activity of SIRT1.
Journal of inorganic biochemistry 2010;104(2):180-5.
2009: Yu Feng; Jiahui Wu; Lei Chen; Chen Luo; Xu Shen; Kaixian Chen; Hualiang Jiang; Dongxiang Liu
A fluorometric assay of SIRT1 deacetylation activity through quantification of nicotinamide adenine dinucleotide.
Analytical biochemistry 2009;395(2):205-10.
2009: Yu Feng; Dongxiang Liu; Xu Shen; Kaixian Chen; Hualiang Jiang
Structure assembly of Bcl-x(L) through alpha5-alpha5 and alpha6-alpha6 interhelix interactions in lipid membranes.
Biochimica et biophysica acta 2009;1788(11):2389-95.
2009: He Huang; Hualiang Jiang; Kaixian Chen; Hong Liu
A simple and convenient copper-catalyzed tandem synthesis of quinoline-2-carboxylates at room temperature.
The Journal of organic chemistry 2009;74(15):5476-80.
2009: Lingyan He; Liang Zhang; Xiaofeng Liu; Xianghua Li; Mingyue Zheng; Honglin Li; Kunqian Yu; Kaixian Chen; Xu Shen; Hualiang Jiang; Hong Liu
Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
Journal of medicinal chemistry 2009;52(8):2465-81.
2009: Yu Feng; Liang Zhang; Tianchen Hu; Xu Shen; Jianping Ding; Kaixian Chen; Hualiang Jiang; Dongxiang Liu
A conserved hydrophobic core at Bcl-xL mediates its structural stability and binding affinity with BH3-domain peptide of pro-apoptotic protein.
Archives of biochemistry and biophysics 2009;484(1):46-54.
2009: Zhang Jian; Chenjing Li; Ting Shi; Kaixian Chen; Xu Shen; Hualiang Jiang
Lys169 of human glucokinase is a determinant for glucose phosphorylation: implication for the atomic mechanism of glucokinase catalysis.
PloS one 2009;4(7):e6304.
2009: Deju Ye; Jiang Wang; Kunqian Yu; Yu Zhou; Hualiang Jiang; Kaixian Chen; Hong Liu
Current strategies for the discovery of K+ channel modulators.
Current topics in medicinal chemistry 2009;9(4):348-61.
2009: Feng Cheng; Jianhua Shen; Xiaoying Xu; Xiaomin Luo; Kaixian Chen; Xu Shen; Hualiang Jiang
Interaction models of a series of oxadiazole-substituted alpha-isopropoxy phenylpropanoic acids against PPARalpha and PPARgamma: molecular modeling and comparative molecular similarity indices analysis studies.
Protein and peptide letters 2009;16(2):150-62.
2009: Wenming Li; Marvin Mak; Hualiang Jiang; Qinwen Wang; Yuanping Pang; Kaixian Chen; Yifan Han
Novel anti-Alzheimer's dimer Bis(7)-cognitin: cellular and molecular mechanisms of neuroprotection through multiple targets.
Neurotherapeutics : the journal of the American Society for Experimental NeuroTherapeutics 2009;6(1):187-201.
2009: Zhili Zuo; Oi Wah Liew; Gang Chen; Pek Ching Jenny Chong; Siew Hui Lee; Kaixian Chen; Hualiang Jiang; Chum Mok Puah; Weiliang Zhu
Mechanism of NS2B-mediated activation of NS3pro in dengue virus: molecular dynamics simulations and bioassays.
Journal of virology 2009;83(2):1060-70.
2008: He Huang; Hualiang Jiang; Kaixian Chen; Hong Liu
Efficient iron/copper cocatalyzed alkynylation of aryl iodides with terminal alkynes.
The Journal of organic chemistry 2008;73(22):9061-4.
2008: Hanjun Zou; Mingyue Zheng; Xiaomin Luo; Weiliang Zhu; Kaixian Chen; Jianhua Shen; Hualiang Jiang
Dynamic mechanism of fatty acid transport across cellular membranes through FadL: molecular dynamics simulations.
The journal of physical chemistry. B 2008;112(41):13070-8.
2008: Guanghui Deng; Weihua Li; Jianhua Shen; Hualiang Jiang; Kaixian Chen; Hong Liu
Pyrazolidine-3,5-dione derivatives as potent non-steroidal agonists of farnesoid X receptor: virtual screening, synthesis, and biological evaluation.
Bioorganic & medicinal chemistry letters 2008;18(20):5497-502.
2008: He Huang; Xiuhua Yan; Weiliang Zhu; Hong Liu; Hualiang Jiang; Kaixian Chen
Efficient copper-promoted N-arylations of aryl halides with amines.
Journal of combinatorial chemistry 2008;10(5):617-9.
2008: He Huang; Hong Liu; Hualiang Jiang; Kaixian Chen
Rapid and efficient Pd-catalyzed Sonogashira coupling of aryl chlorides.
The Journal of organic chemistry 2008;73(15):6037-40.
2008: Yu Feng; Xu Shen; Kaixian Chen; Hualiang Jiang; Dongxiang Liu
A new assay based on fluorescence resonance energy transfer to determine the binding affinity of Bcl-xL inhibitors.
Bioscience, biotechnology, and biochemistry 2008;72(7):1936-9.
2008: Xiaoyu Zhao; Xiaofeng Liu; Yuanyuan Wang; Zhi Chen; Ling Kang; Hailei Zhang; Xiaomin Luo; Weiliang Zhu; Kaixian Chen; Honglin Li; Xicheng Wang; Hualiang Jiang
An improved PMF scoring function for universally predicting the interactions of a ligand with protein, DNA, and RNA.
Journal of chemical information and modeling 2008;48(7):1438-47.
2008: Shuai Chen; Zhang Jian; Tiancen Hu; Kaixian Chen; Hualiang Jiang; Xu Shen
Residues on the dimer interface of SARS coronavirus 3C-like protease: dimer stability characterization and enzyme catalytic activity analysis.
Journal of biochemistry 2008;143(4):525-36.
2008: Liang Zhang; Weizhi Liu; Tiancen Hu; Li Du; Cheng Luo; Kaixian Chen; Xu Shen; Hualiang Jiang
Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
The Journal of biological chemistry 2008;283(9):5370-9.
2008: Yu Feng; Zhaohu Lin; Xu Shen; Kaixian Chen; Hualiang Jiang; Dongxiang Liu
Bcl-xL forms two distinct homodimers at non-ionic detergents: implications in the dimerization of Bcl-2 family proteins.
Journal of biochemistry 2008;143(2):243-52.
2008: Shuai Chen; Tiancen Hu; Zhang Jian; Jing Chen; Kaixian Chen; Jianping Ding; Hualiang Jiang; Xu Shen
Mutation of Gly-11 on the dimer interface results in the complete crystallographic dimer dissociation of severe acute respiratory syndrome coronavirus 3C-like protease: crystal structure with molecular dynamics simulations.
The Journal of biological chemistry 2008;283(1):554-64.
2008: Zhenting Gao; Honglin Li; Hailei Zhang; Xiaofeng Liu; Ling Kang; Xiaomin Luo; Weiliang Zhu; Kaixian Chen; Xicheng Wang; Hualiang Jiang
PDTD: a web-accessible protein database for drug target identification.
BMC bioinformatics 2008;9():104.
2007: Wei Fu; Jianhua Shen; Xiaomin Luo; Weiliang Zhu; Jiagao Cheng; Kunqian Yu; James M Briggs; Guozhang Jin; Kaixian Chen; Hualiang Jiang
Dopamine D1 receptor agonist and D2 receptor antagonist effects of the natural product (-)-stepholidine: molecular modeling and dynamics simulations.
Biophysical journal 2007;93(5):1431-41.
2007: Hanjun Zou; Cheng Luo; Suxin Zheng; Xiaomin Luo; Weiliang Zhu; Kaixian Chen; Jianhua Shen; Hualiang Jiang
Molecular insight into the interaction between IFABP and PA by using MM-PBSA and alanine scanning methods.
The journal of physical chemistry. B 2007;111(30):9104-13.
2007: Ming-Wei Wang; Xiaojiang Hao; Kaixian Chen
Biological screening of natural products and drug innovation in China.
Philosophical transactions of the Royal Society of London. Series B, Biological sciences 2007;362(1482):1093-105.
2007: Zhili Zuo; Gang Chen; Xiaomin Luo; Chum Mok Puah; Weiliang Zhu; Kaixian Chen; Hualiang Jiang
Pharmacophore-directed homology modeling and molecular dynamics simulation of G protein-coupled receptor: study of possible binding modes of 5-HT2C receptor agonists.
Acta biochimica et biophysica Sinica 2007;39(6):413-22.
2007: Liang Zhang; Weizhi Liu; Jianfeng Xiao; Tiancen Hu; Jing Chen; Kaixian Chen; Hualiang Jiang; Xu Shen
Malonyl-CoA: acyl carrier protein transacylase from Helicobacter pylori: Crystal structure and its interaction with acyl carrier protein.
Protein science : a publication of the Protein Society 2007;16(6):1184-92.
2007: Zhili Zuo; Chen Gang; Hanjun Zou; Puah Chum Mok; Weiliang Zhu; Kaixian Chen; Hualiang Jiang
Why does beta-secretase zymogen possess catalytic activity? Molecular modeling and molecular dynamics simulation studies.
Computational biology and chemistry 2007;31(3):186-95.
2007: Mingfang Zheng; Mingyue Zheng; Deju Ye; Yangmei Deng; Shuifeng Qiu; Xiaomin Luo; Kaixian Chen; Hong Liu; Hualiang Jiang
Indole derivatives as potent inhibitors of 5-lipoxygenase: design, synthesis, biological evaluation, and molecular modeling.
Bioorganic & medicinal chemistry letters 2007;17(9):2414-20.
2007: Wenming Li; Jian Xue; Chunying Niu; Hongjun Fu; Colin S C Lam; Jialie Luo; Hugh H N Chan; Huaiguo Xue; Kelvin K W Kan; Nelson T K Lee; Chaoying Li; Yuanping Pang; Mingtao Li; Karl W K Tsim; Hualiang Jiang; Kaixian Chen; Xiaoyuan Li; Yifan Han
Synergistic neuroprotection by bis(7)-tacrine via concurrent blockade of N-methyl-D-aspartate receptors and neuronal nitric-oxide synthase.
Molecular pharmacology 2007;71(5):1258-67.
2007: Chunshan Gui; Weiliang Zhu; Gang Chen; Xiaomin Luo; Oi W Liew; Chum Mok Puah; Kaixian Chen; Hualiang Jiang
Understanding the regulation mechanisms of PAF receptor by agonists and antagonists: molecular modeling and molecular dynamics simulation studies.
Proteins 2007;67(1):41-52.
2007: Juwen Shen; Zhang Jian; Xiaomin Luo; Weiliang Zhu; Kunqian Yu; Kaixian Chen; Yixue Li; Hualiang Jiang
Predicting protein-protein interactions based only on sequences information.
Proceedings of the National Academy of Sciences of the United States of America 2007;104(11):4337-41.
2007: He Huang; Hong Liu; Kaixian Chen; Hualiang Jiang
Microwave-assisted rapid synthesis of 2,6,9-substituted purines.
Journal of combinatorial chemistry 2007;9(2):197-9.
2007: Mingfang Zheng; Chenghui Xu; Jianwei Ma; Yan Sun; Feifei Du; Hong Liu; Liping Lin; Chuan Li; Jian Ding; Kaixian Chen; Hualiang Jiang
Synthesis and antitumor evaluation of a novel series of triaminotriazine derivatives.
Bioorganic & medicinal chemistry 2007;15(4):1815-27.
2007: Huaiyu Yang; Yechun Xu; Weiliang Zhu; Kaixian Chen; Hualiang Jiang
Detailed mechanism for AmtB conducting NH4+/NH3: molecular dynamics simulations.
Biophysical journal 2007;92(3):877-85.
2007: Tao Sun; Qi Wang; Zhiguo Yu; Yu Zhang; Yuewei Guo; Kaixian Chen; Xu Shen; Hualiang Jiang
Hyrtiosal, a PTP1B inhibitor from the marine sponge Hyrtios erectus, shows extensive cellular effects on PI3K/AKT activation, glucose transport, and TGFbeta/Smad2 signaling.
Chembiochem : a European journal of chemical biology 2007;8(2):187-93.
2007: Desu Chen; Jiayu Liao; Na Li; Caihong Zhou; Qing Liu; Guangxing Wang; Rui Zhang; Song Zhang; Lilin Lin; Kaixian Chen; Xin Xie; Fa-Jun Nan; Andrew A Young; Ming-Wei Wang
A nonpeptidic agonist of glucagon-like peptide 1 receptors with efficacy in diabetic db/db mice.
Proceedings of the National Academy of Sciences of the United States of America 2007;104(3):943-8.
2007: Cong Han; Zhang Jian; Lili Chen; Kaixian Chen; Xu Shen; Hualiang Jiang
Discovery of Helicobacter pylori shikimate kinase inhibitors: bioassay and molecular modeling.
Bioorganic & medicinal chemistry 2007;15(2):656-62.
2007: Hong Liu; Zhao-Bing Gao; Zhiyi Yao; Suxin Zheng; Yang Li; Weiliang Zhu; Xiaojian Tan; Xiaomin Luo; Jianhua Shen; Kaixian Chen; Guo-Yuan Hu; Hualiang Jiang
Discovering potassium channel blockers from synthetic compound database by using structure-based virtual screening in conjunction with electrophysiological assay.
Journal of medicinal chemistry 2007;50(1):83-93.
2006: Hongxia Duan; Zhen Gong; Jiagao Cheng; Weiliang Zhu; Kaixian Chen; Hualiang Jiang
Induction of an aromatic six-membered nitrogen ring via cation-pi interaction.
The journal of physical chemistry. A 2006;110(44):12236-40.
2006: Yechun Xu; Francisco Barrantes; Jianhua Shen; Xiaomin Luo; Weiliang Zhu; Kaixian Chen; Hualiang Jiang
Blocking of the nicotinic acetylcholine receptor ion channel by chlorpromazine, a noncompetitive inhibitor: A molecular dynamics simulation study.
The journal of physical chemistry. B 2006;110(41):20640-8.
2006: Haibin Luo; Jing Chen; Kaixian Chen; Xu Shen; Hualiang Jiang
Carboxyl terminus of severe acute respiratory syndrome coronavirus nucleocapsid protein: self-association analysis and nucleic acid binding characterization.
Biochemistry 2006;45(39):11827-35.
2006: Cong Han; Lirui Wang; Kunqian Yu; Lili Chen; Lihong Hu; Kaixian Chen; Hualiang Jiang; Xu Shen
Biochemical characterization and inhibitor discovery of shikimate dehydrogenase from Helicobacter pylori.
The FEBS journal 2006;273(20):4682-92.
2006: Dongxiang Liu; Yechun Xu; Yu Feng; Hong Liu; Xu Shen; Kaixian Chen; Jianpeng Ma; Hualiang Jiang
Inhibitor discovery targeting the intermediate structure of beta-amyloid peptide on the conformational transition pathway: implications in the aggregation mechanism of beta-amyloid peptide.
Biochemistry 2006;45(36):10963-72.
2006: Zhang Jian; Chenjing Li; Kaixian Chen; Weiliang Zhu; Xu Shen; Hualiang Jiang
Conformational transition pathway in the allosteric process of human glucokinase.
Proceedings of the National Academy of Sciences of the United States of America 2006;103(36):13368-73.
2006: Mingyue Zheng; Kunqian Yu; Hong Liu; Xiaomin Luo; Kaixian Chen; Weiliang Zhu; Hualiang Jiang
QSAR analyses on avian influenza virus neuraminidase inhibitors using CoMFA, CoMSIA, and HQSAR.
Journal of computer-aided molecular design 2006;20(9):549-66.
2006: Jianhua Cai; Cong Han; Tiancen Hu; Zhang Jian; Dalei Wu; Fangdao Wang; Yunqing Liu; Jianping Ding; Kaixian Chen; Jianmin Yue; Xu Shen; Hualiang Jiang
Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation.
Protein science : a publication of the Protein Society 2006;15(9):2071-81.
2006: Mingyue Zheng; Zhiguo Liu; Chunxia Xue; Weiliang Zhu; Kaixian Chen; Xiaomin Luo; Hualiang Jiang
Mutagenic probability estimation of chemical compounds by a novel molecular electrophilicity vector and support vector machine.
Bioinformatics (Oxford, England) 2006;22(17):2099-106.
2006: Jian Li; Jing Chen; Li Zhang; Feng Wang; Chunshan Gui; Li Zhang; Yu Qin; Qiang Xu; Hong Liu; Fa-Jun Nan; Jingkang Shen; Donglu Bai; Kaixian Chen; Xu Shen; Hualiang Jiang
One novel quinoxaline derivative as a potent human cyclophilin A inhibitor shows highly inhibitory activity against mouse spleen cell proliferation.
Bioorganic & medicinal chemistry 2006;14(16):5527-34.
2006: Tao Sun; Ye Fei; Hong Ding; Kaixian Chen; Hualiang Jiang; Xu Shen
Protein tyrosine phosphatase 1B regulates TGF beta 1-induced Smad2 activation through PI3 kinase-dependent pathway.
Cytokine 2006;35(1-2):88-94.
2006: Honglin Li; Zhenting Gao; Ling Kang; Hailei Zhang; Kun Yang; Kunqian Yu; Xiaomin Luo; Weiliang Zhu; Kaixian Chen; Jianhua Shen; Xicheng Wang; Hualiang Jiang
TarFisDock: a web server for identifying drug targets with docking approach.
Nucleic acids research 2006;34(Web Server issue):W219-24.
2006: Yechun Xu; Xiaomin Luo; Jianhua Shen; Weiliang Zhu; Kaixian Chen; Hualiang Jiang
Molecular dynamics of nicotinic acetylcholine receptor correlating biological functions.
Current protein & peptide science 2006;7(3):195-200.
2006: Mingyue Zheng; Zhenshan Zhang; Weiliang Zhu; Hong Liu; Xiaomin Luo; Kaixian Chen; Hualiang Jiang
Essential structural profile of a dual functional inhibitor against cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX): molecular docking and 3D-QSAR analyses on DHDMBF analogues.
Bioorganic & medicinal chemistry 2006;14(10):3428-37.
2006: Li Du; Zhenshan Zhang; Xiaomin Luo; Kaixian Chen; Xu Shen; Hualiang Jiang
Binding investigation of human 5-lipoxygenase with its inhibitors by SPR technology correlating with molecular docking simulation.
Journal of biochemistry 2006;139(4):715-23.
2006: Rongjian Sa; Weiliang Zhu; Jianhua Shen; Zhen Gong; Jiagao Cheng; Kaixian Chen; Hualiang Jiang
How does ammonium dynamically interact with benzene in aqueous media? A first principle study using the Car-Parrinello molecular dynamics method.
The journal of physical chemistry. B 2006;110(10):5094-8.
2006: Weizhi Liu; Cong Han; Lihong Hu; Kaixian Chen; Xu Shen; Hualiang Jiang
Characterization and inhibitor discovery of one novel malonyl-CoA: acyl carrier protein transacylase (MCAT) from Helicobacter pylori.
FEBS letters 2006;580(2):697-702.
2006: Shuai Chen; Haibin Luo; Lili Chen; Jing Chen; Jianhua Shen; Weiliang Zhu; Kaixian Chen; Xu Shen; Hualiang Jiang
An overall picture of SARS coronavirus (SARS-CoV) genome-encoded major proteins: structures, functions and drug development.
Current pharmaceutical design 2006;12(35):4539-53.
2006: Ye Fei; Tao Sun; Haibin Luo; Hong Ding; Kaixian Chen; Xu Shen; Hualiang Jiang
Quantitative characterization of 15-deoxy-delta(12,14)-prostaglandin J2 in regulating EGFPSmad2 translocation in CHO cells through PPARgamma/TGFbeta/Smad2 pathway.
Cellular physiology and biochemistry : international journal of experimental cellular physiology, biochemistry, and pharmacology 2006;18(1-3):143-50.
2006: Haibin Luo; Dalei Wu; Can Shen; Kaixian Chen; Xu Shen; Hualiang Jiang
Severe acute respiratory syndrome coronavirus membrane protein interacts with nucleocapsid protein mostly through their carboxyl termini by electrostatic attraction.
The international journal of biochemistry & cell biology 2006;38(4):589-99.
2005: Chunying Niu; Yechun Xu; Yong Xu; Xiaomin Luo; Wenhu Duan; Israel Silman; Joel Sussman; Weiliang Zhu; Kaixian Chen; Jianhua Shen; Hualiang Jiang
Dynamic mechanism of E2020 binding to acetylcholinesterase: a steered molecular dynamics simulation.
The journal of physical chemistry. B 2005;109(49):23730-8.
2005: Haibin Luo; Ye Fei; Kaixian Chen; Xu Shen; Hualiang Jiang
SR-rich motif plays a pivotal role in recombinant SARS coronavirus nucleocapsid protein multimerization.
Biochemistry 2005;44(46):15351-8.
2005: Jinzhi Tan; Koen H G Verschueren; Kanchan Anand; Jianhua Shen; Maojun Yang; Yechun Xu; Zihe Rao; Janna Bigalke; Burkhard Heisen; Jeroen R Mesters; Kaixian Chen; Xu Shen; Hualiang Jiang; Rolf Hilgenfeld
pH-dependent conformational flexibility of the SARS-CoV main proteinase (M(pro)) dimer: molecular dynamics simulations and multiple X-ray structure analyses.
Journal of molecular biology 2005;354(1):25-40.
2005: Zhang Jian; Yechun Xu; Jianhua Shen; Xiaomin Luo; Jiagao Chen; Kaixian Chen; Weiliang Zhu; Hualiang Jiang
Dynamic mechanism for the autophosphorylation of CheA histidine kinase: molecular dynamics simulations.
Journal of the American Chemical Society 2005;127(33):11709-19.
2005: Suxin Zheng; Xiaomin Luo; Gang Chen; Weiliang Zhu; Jianhua Shen; Kaixian Chen; Hualiang Jiang
A new rapid and effective chemistry space filter in recognizing a druglike database.
Journal of chemical information and modeling 2005;45(4):856-62.
2005: Liduo Yue; Ye Fei; Xiaoying Xu; Jianhua Shen; Kaixian Chen; Xu Shen; Hualiang Jiang
The conserved residue Phe273(282) of PPARalpha(gamma), beyond the ligand-binding site, functions in binding affinity through solvation effect.
Biochimie 2005;87(6):539-50.
2005: Lili Chen; Chunshan Gui; Xiaomin Luo; Qingang Yang; Stephan Günther; Elke Scandella; Christian Drosten; Donglu Bai; Xichang He; Burkhard Ludewig; Jing Chen; Haibin Luo; Yiming Yang; Yifu Yang; Jianping Zou; Volker Thiel; Kaixian Chen; Jianhua Shen; Xu Shen; Hualiang Jiang
Cinanserin is an inhibitor of the 3C-like proteinase of severe acute respiratory syndrome coronavirus and strongly reduces virus replication in vitro.
Journal of virology 2005;79(11):7095-103.
2005: Haibin Luo; Qing Chen; Jing Chen; Kaixian Chen; Xu Shen; Hualiang Jiang
The nucleocapsid protein of SARS coronavirus has a high binding affinity to the human cellular heterogeneous nuclear ribonucleoprotein A1.
FEBS letters 2005;579(12):2623-8.
2005: Gang Chen; Suxin Zheng; Xiaomin Luo; Jianhua Shen; Weiliang Zhu; Hong Liu; Chunshan Gui; Jian Zhang; Mingyue Zheng; Chum Mok Puah; Kaixian Chen; Hualiang Jiang
Focused combinatorial library design based on structural diversity, druglikeness and binding affinity score.
Journal of combinatorial chemistry 2005;7(3):398-406.
2005: Yechun Xu; Jianhua Shen; Xiaomin Luo; Weiliang Zhu; Kaixian Chen; Jianpeng Ma; Hualiang Jiang
Conformational transition of amyloid beta-peptide.
Proceedings of the National Academy of Sciences of the United States of America 2005;102(15):5403-7.
2005: Yechun Xu; Jianhua Shen; Weiliang Zhu; Xiaomin Luo; Kaixian Chen; Hualiang Jiang
Influence of the water molecule on cation-pi interaction: ab initio second order Møller-Plesset perturbation theory (MP2) calculations.
The journal of physical chemistry. B 2005;109(12):5945-9.
2005: Zhili Zuo; Xiaomin Luo; Weiliang Zhu; Jianhua Shen; Xu Shen; Hualiang Jiang; Kaixian Chen
Molecular docking and 3D-QSAR studies on the binding mechanism of statine-based peptidomimetics with beta-secretase.
Bioorganic & medicinal chemistry 2005;13(6):2121-31.
2005: Liduo Yue; Ye Fei; Chunshan Gui; Haibin Luo; Jianhua Cai; Jianhua Shen; Kaixian Chen; Xu Shen; Hualiang Jiang
Ligand-binding regulation of LXR/RXR and LXR/PPAR heterodimerizations: SPR technology-based kinetic analysis correlated with molecular dynamics simulation.
Protein science : a publication of the Protein Society 2005;14(3):812-22.
2005: Yechun Xu; Francisco Barrantes; Xiaomin Luo; Kaixian Chen; Jianhua Shen; Hualiang Jiang
Conformational dynamics of the nicotinic acetylcholine receptor channel: a 35-ns molecular dynamics simulation study.
Journal of the American Chemical Society 2005;127(4):1291-9.
2005: Weiliang Zhu; Gang Chen; Lihong Hu; Xiaomin Luo; Chunshan Gui; Cheng Luo; Chum Mok Puah; Kaixian Chen; Hualiang Jiang
QSAR analyses on ginkgolides and their analogues using CoMFA, CoMSIA, and HQSAR.
Bioorganic & medicinal chemistry 2005;13(2):313-22.
2005: Shuai Chen; Lili Chen; Jinzhi Tan; Jing Chen; Li Du; Tao Sun; Jianhua Shen; Kaixian Chen; Hualiang Jiang; Xu Shen
Severe acute respiratory syndrome coronavirus 3C-like proteinase N terminus is indispensable for proteolytic activity but not for enzyme dimerization. Biochemical and thermodynamic investigation in conjunction with molecular dynamics simulations.
The Journal of biological chemistry 2005;280(1):164-73.
2004: Yong Xu; Hong Liu; Chunying Niu; Cheng Luo; Xiaomin Luo; Jianhua Shen; Kaixian Chen; Hualiang Jiang
Molecular docking and 3D QSAR studies on 1-amino-2-phenyl-4-(piperidin-1-yl)-butanes based on the structural modeling of human CCR5 receptor.
Bioorganic & medicinal chemistry 2004;12(23):6193-208.
2004: Honglin Li; Chunlian Li; Chunshan Gui; Xiaomin Luo; Kaixian Chen; Jianhua Shen; Xicheng Wang; Hualiang Jiang
GAsDock: a new approach for rapid flexible docking based on an improved multi-population genetic algorithm.
Bioorganic & medicinal chemistry letters 2004;14(18):4671-6.
2004: Cheng Luo; Haibin Luo; Suxin Zheng; Chunshan Gui; Liduo Yue; Changying Yu; Tao Sun; Peilan He; Jing Chen; Jianhua Shen; Xiaomin Luo; Yixue Li; Hong Liu; Donglu Bai; Jingkang Shen; Yiming Yang; Fangqiu Li; Jianping Zuo; Rolf Hilgenfeld; Gang Pei; Kaixian Chen; Xu Shen; Hualiang Jiang
Nucleocapsid protein of SARS coronavirus tightly binds to human cyclophilin A.
Biochemical and biophysical research communications 2004;321(3):557-65.
2004: Guixia Liu; Zhenshan Zhang; Xiaomin Luo; Jianhua Shen; Hong Liu; Xu Shen; Kaixian Chen; Hualiang Jiang
Inhibitory mode of indole-2-carboxamide derivatives against HLGPa: molecular docking and 3D-QSAR analyses.
Bioorganic & medicinal chemistry 2004;12(15):4147-57.
2004: Zhixing Wu; Gurpreet Singh Minhas; Dingyi Wen; Hualiang Jiang; Kaixian Chen; Piotr Zimniak; Jiang Zheng
Design, synthesis, and structure-activity relationships of haloenol lactones: site-directed and isozyme-selective glutathione S-transferase inhibitors.
Journal of medicinal chemistry 2004;47(12):3282-94.
2004: Gang Chen; Xiaomin Luo; Weiliang Zhu; Cheng Luo; Hong Liu; Chum Mok Puah; Kaixian Chen; Hualiang Jiang
Elucidating inhibitory models of the inhibitors of epidermal growth factor receptor by docking and 3D-QSAR.
Bioorganic & medicinal chemistry 2004;12(9):2409-17.
2004: Xiaoqin Huang; Hong Liu; Meng Cui; Wei Fu; Kunqian Yu; Kaixian Chen; Xiaomin Luo; Jianhua Shen; Hualiang Jiang
Simulating the interactions of toxins with K+ channels.
Current pharmaceutical design 2004;10(9):1057-67.
2004: Changying Yu; Lili Chen; Haibing Luo; Jing Chen; Feng Cheng; Chunshan Gui; Ruihao Zhang; Jianhua Shen; Kaixian Chen; Hualiang Jiang; Xu Shen
Binding analyses between Human PPARgamma-LBD and ligands.
European journal of biochemistry / FEBS 2004;271(2):386-97.
2003: Haifang Sun; Haibin Luo; Changying Yu; Tao Sun; Jing Chen; Shuying Peng; Jun Qin; Jianhua Shen; Yiming Yang; Youhua Xie; Kaixian Chen; Yuan Wang; Xu Shen; Hualiang Jiang
Molecular cloning, expression, purification, and mass spectrometric characterization of 3C-like protease of SARS coronavirus.
Protein expression and purification 2003;32(2):302-8.
2003: Hong Liu; Yang Li; Mingke Song; Xiaojian Tan; Feng Cheng; Suxin Zheng; Jianhua Shen; Xiaomin Luo; Ruyun Ji; Jianmin Yue; Guoyuan Hu; Hualiang Jiang; Kaixian Chen
Structure-based discovery of potassium channel blockers from natural products: virtual screening and electrophysiological assay testing.
Chemistry & biology 2003;10(11):1103-13.
2003: Jianhua Shen; Xiaoying Xu; Feng Cheng; Hong Liu; Xiaomin Luo; Jingkang Shen; Kaixian Chen; Weimin Zhao; Xu Shen; Hualiang Jiang
Virtual screening on natural products for discovering active compounds and target information.
Current medicinal chemistry 2003;10(21):2327-42.
2003: Jiagao Cheng; Congmin Kang; Weiliang Zhu; Xiaomin Luo; Chum Mok Puah; Kaixian Chen; Jianhua Shen; Hualiang Jiang
N-methylformamide-benzene complex as a prototypical peptide N-H...pi hydrogen-bonded system: density functional theory and MP2 studies.
The Journal of organic chemistry 2003;68(19):7490-5.
2003: Yechun Xu; Jianhua Shen; Xiaomin Luo; Israel Silman; Joel Sussman; Kaixian Chen; Hualiang Jiang
How does huperzine A enter and leave the binding gorge of acetylcholinesterase? Steered molecular dynamics simulations.
Journal of the American Chemical Society 2003;125(37):11340-9.
2003: Yingjie Cui; Yushe Yang; Kaixian Chen; Ruyun Ji; Shuhua Zhang
Synthesis and antibacterial activity of oxazolidinone containing sulphonyl group.
Bioorganic & medicinal chemistry letters 2003;13(14):2311-3.
2003: Lingling Shen; Jianhua Shen; Xiaomin Luo; Feng Cheng; Yechun Xu; Kaixian Chen; Eddy Arnold; Jianping Ding; Hualiang Jiang
Steered molecular dynamics simulation on the binding of NNRTI to HIV-1 RT.
Biophysical journal 2003;84(6):3547-63.
2003: Xiaoqin Huang; Jianhua Shen; Meng Cui; Lingling Shen; Xiaomin Luo; Kun Ling; Gang Pei; Hualiang Jiang; Kaixian Chen
Molecular dynamics simulations on SDF-1alpha: binding with CXCR4 receptor.
Biophysical journal 2003;84(1):171-84.
2002: Meng Cui; Xiaoqin Huang; Xiaomin Luo; James M Briggs; Ruyun Ji; Kaixian Chen; Jianhua Shen; Hualiang Jiang
Molecular docking and 3D-QSAR studies on gag peptide analogue inhibitors interacting with human cyclophilin A.
Journal of medicinal chemistry 2002;45(24):5249-59.
2002: Wei Fu; Meng Cui; James M Briggs; Xiaoqin Huang; Bing Xiong; Yingmin Zhang; Xiaomin Luo; Jianhua Shen; Ruyun Ji; Hualiang Jiang; Kaixian Chen
Brownian dynamics simulations of the recognition of the scorpion toxin maurotoxin with the voltage-gated potassium ion channels.
Biophysical journal 2002;83(5):2370-85.
2002: Hong Liu; Xiaoqin Huang; Jianhua Shen; Xiaomin Luo; Minghui Li; Bing Xiong; Gang Chen; Jingkang Shen; Yimin Yang; Hualiang Jiang; Kaixian Chen
Inhibitory mode of 1,5-diarylpyrazole derivatives against cyclooxygenase-2 and cyclooxygenase-1: molecular docking and 3D QSAR analyses.
Journal of medicinal chemistry 2002;45(22):4816-27.
2002: Feng Cheng; Jianhua Shen; Xiaomin Luo; Weiliang Zhu; Jiande Gu; Ruyun Ji; Hualiang Jiang; Kaixian Chen
Molecular docking and 3-D-QSAR studies on the possible antimalarial mechanism of artemisinin analogues.
Bioorganic & medicinal chemistry 2002;10(9):2883-91.
2002: Feng Cheng; Jianhua Shen; Xiaomin Luo; Hualiang Jiang; Kaixian Chen
Steered molecular dynamics simulations on the "tail helix latch" hypothesis in the gelsolin activation process.
Biophysical journal 2002;83(2):753-62.
2002: Hong Liu; Ming Ji; Xiaomin Luo; Jianhua Shen; Xiaoqin Huang; Weiyi Hua; Hualiang Jiang; Kaixian Chen
New p-methylsulfonamido phenylethylamine analogues as class III antiarrhythmic agents: design, synthesis, biological assay, and 3D-QSAR analysis.
Journal of medicinal chemistry 2002;45(14):2953-69.
2002: Meng Cui; Jianhua Shen; James M Briggs; Wei Fu; Jingjiang Wu; Yingmin Zhang; Xiaomin Luo; Zhengwu Chi; Ruyun Ji; Hualiang Jiang; Kaixian Chen
Brownian dynamics simulations of the recognition of the scorpion toxin P05 with the small-conductance calcium-activated potassium channels.
Journal of molecular biology 2002;318(2):417-28.
2002: Xaioqin Huang; Liaosa Xu; Xiaomin Luo; Kangnian Fan; Ruyun Ji; Gang Pei; Kaixian Chen; Hualiang Jiang
Elucidating the inhibiting mode of AHPBA derivatives against HIV-1 protease and building predictive 3D-QSAR models.
Journal of medicinal chemistry 2002;45(2):333-43.
2001: Weimin Zhao; Q Ye; X Tan; Hualiang Jiang; Xiaoyu Li; Kaixian Chen; A D Kinghorn
Three new sesquiterpene glycosides from Dendrobium nobile with immunomodulatory activity.
Journal of natural products 2001;64(9):1196-200.
2001: Xiaoqin Huang; T Liu; J Gu; Xiaomin Luo; Ruyun Ji; Y Cao; H Xue; J T Wong; B L Wong; G Pei; Hualiang Jiang; Kaixian Chen
3D-QSAR model of flavonoids binding at benzodiazepine site in GABAA receptors.
Journal of medicinal chemistry 2001;44(12):1883-91.
2001: Meng Cui; Jianhua Shen; James M Briggs; Xiaomin Luo; X Tan; Hualiang Jiang; Kaixian Chen; Ruyun Ji
Brownian dynamics simulations of interaction between scorpion toxin Lq2 and potassium ion channel.
Biophysical journal 2001;80(4):1659-69.
2000: H Liu; M Ji; Hualiang Jiang; L Liu; W Hua; Kaixian Chen; R Ji
Computer-aided design, synthesis and biological assay of p-methylsulfonamido phenylethylamine analogues.
Bioorganic & medicinal chemistry letters 2000;10(19):2153-7.
1999: F Zeng; Hualiang Jiang; Y Zhai; H Zhang; Kaixian Chen; R Ji
Synthesis and acetylcholinesterase inhibitory activity of huperzine A-E2020 combined compound.
Bioorganic & medicinal chemistry letters 1999;9(23):3279-84.
1998: F Zeng; Hualiang Jiang; X Tang; Kaixian Chen; R Ji
Synthesis and acetylcholinesterase inhibitory activity of (+/-)-14-fluorohuperzine A.
Bioorganic & medicinal chemistry letters 1998;8(13):1661-4.
1997: Hualiang Jiang; Kaixian Chen; Y Tang; J Chen; Q Li; Q Wang; R Ji
Molecular modeling and 3D-QSAR studies on the interaction mechanism of tripeptidyl thrombin inhibitors with human alpha-thrombin.
Journal of medicinal chemistry 1997;40(19):3085-90.
1997: Jia-Feng Zeng; GL Li; Jing-Kang Shen; Da-Yuan Zhu; Kaixian Chen; Kuo-Hsiung Lee
Manuifolins D, E, and F: new isoflavonoids from Maackia tenuifolia.
Journal of natural products 1997;60(9):918-20.