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Jianhua Shen

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TOP 3
Kai Wang; Yiping Wang; Wenwei Xu; Wei Zhang; Mingguang Mo; Jianhua Shen
Triazole derivatives: A series of Darapladib analogues as orally active Lp-PLA2 inhibitors.
Kai Wang; Wenyi Wang; Yang Liu; Jianhua Shen; Wenwei Xu; Wei Zhang; Yiping Wang
Design and synthesis of imidazole and triazole derivatives as Lp-PLA₂ inhibitors and the unexpected discovery of highly potent quaternary ammonium salts.
Hongliang Duan; Ying Feng; Ying Leng; Mengmeng Ning; Liming Zhang; Lina Zhang; Qingan Zou; Xiaoyan Chen; Jianhua Shen
Design, synthesis, and antidiabetic activity of 4-phenoxynicotinamide and 4-phenoxypyrimidine-5-carboxamide derivatives as potent and orally efficacious TGR5 agonists.

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All Publications

2013: Kai Wang; Yiping Wang; Wenwei Xu; Wei Zhang; Mingguang Mo; Jianhua Shen
Triazole derivatives: A series of Darapladib analogues as orally active Lp-PLA2 inhibitors.
Bioorganic & medicinal chemistry letters 2013;23(10):2897-901.
2013: Kai Wang; Wenyi Wang; Yang Liu; Jianhua Shen; Wenwei Xu; Wei Zhang; Yiping Wang
Design and synthesis of imidazole and triazole derivatives as Lp-PLA₂ inhibitors and the unexpected discovery of highly potent quaternary ammonium salts.
Bioorganic & medicinal chemistry letters 2013;23(5):1187-92.
2012: Hongliang Duan; Ying Feng; Ying Leng; Mengmeng Ning; Liming Zhang; Lina Zhang; Qingan Zou; Xiaoyan Chen; Jianhua Shen
Design, synthesis, and antidiabetic activity of 4-phenoxynicotinamide and 4-phenoxypyrimidine-5-carboxamide derivatives as potent and orally efficacious TGR5 agonists.
Journal of medicinal chemistry 2012;55(23):10475-89.
2012: Liming Zhang; Qingan Zou; Junhua Chen; Ying Leng; Mengmeng Ning; Jianhua Shen
Synthesis and evaluation of piperidine urea derivatives as efficacious 11β-hydroxysteroid dehydrogenase type 1 inhibitors in diabetic ob/ob mice.
Bioorganic & medicinal chemistry letters 2012;22(8):2748-52.
2009: Huaiyu Yang; Yu Shen; Junhua Chen; Qunfeng Jiang; Ying Leng; Jianhua Shen
Structure-based virtual screening for identification of novel 11beta-HSD1 inhibitors.
European journal of medicinal chemistry 2009;44(3):1167-71.
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.
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: Huaiyu Yang; Wei Dou; Jing Lou; Ying Leng; Jianhua Shen
Discovery of novel inhibitors of 11beta-hydroxysteroid dehydrogenase type 1 by docking and pharmacophore modeling.
Bioorganic & medicinal chemistry letters 2008;18(4):1340-5.
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: Zhenshan Zhang; Mingyue Zheng; Li Du; Jianhua Shen; Xiaomin Luo; Weiliang Zhu; Hualiang Jiang
Towards discovering dual functional inhibitors against both wild type and K103N mutant HIV-1 reverse transcriptases: molecular docking and QSAR studies on 4,1-benzoxazepinone analogues.
Journal of computer-aided molecular design 2006;20(5):281-93.
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: 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: Weihua Li; Hong Liu; Emily E Scott; Frauke Gräter; James Halpert; Xiaoming Luo; Jianhua Shen; Hualiang Jiang
Possible pathway(s) of testosterone egress from the active site of cytochrome P450 2B1: a steered molecular dynamics simulation.
Drug metabolism and disposition: the biological fate of chemicals 2005;33(7):910-9.
2005: Yong Tong; Guofang Lin; Xin Ke; Fuping Liu; Guangwei Zhu; Guang Gao; Jianhua Shen
Comparison of microbial community between two shallow freshwater lakes in middle Yangtze basin, East China.
Chemosphere 2005;60(1):85-92.
2005: Cheng Luo; Lingfei Xu; Suxin Zheng; Xiaomin Luo; Jianhua Shen; Hualiang Jiang; Xifu Liu; Mingdong Zhou
Computational analysis of molecular basis of 1:1 interactions of NRG-1beta wild-type and variants with ErbB3 and ErbB4.
Proteins 2005;59(4):742-56.
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: 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.
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: Kunqian Yu; Wei Fu; Hong Liu; Xiaomin Luo; Kai Xian Chen; Jianping Ding; Jianhua Shen; Hualiang Jiang
Computational simulations of interactions of scorpion toxins with the voltage-gated potassium ion channel.
Biophysical journal 2004;86(6):3542-55.
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: Qingwen Ma; Guofang Lin; Yiqiu Qin; Daru Lu; Klaus Golka; Frank Geller; Jigang Chen; Jianhua Shen
GSTP1 A1578G (Ile105Val) polymorphism in benzidine-exposed workers: an association with cytological grading of exfoliated urothelial cells.
Pharmacogenetics 2003;13(7):409-15.
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; 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: 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.
2001: Guofang Lin; Q Ma; J Chen; Jianhua Shen; Cui-Qing Xiang; Klaus Golka; D Zhang
Dependence of papanicolaou gradings of exfoliated urothelial cells upon GSTM1 and GSTT1 polymorphism in benzidine-exposed workers of the Shanghai dye industry.
Archives of toxicology 2001;75(9):544-8.
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.