2012
19Identification of old drugs as potential inhibitors of HIV-1 integrase-human LEDGF/p75 interaction via molecular docking
作者:
Guoping Hu, Xi Li, Xianqiang Sun, Weiqiang Lu Guixia Liu, Jin Huang, Xu Shen and Yun Tang
期刊:
J. Mol. Model
信息:
2012
| Vol.18
| 4995-5003
Discovery of Inhibitors to Block Interactions of HIV-1 Integrase with Human LEDGF/p75 via Structure-Based Virtual Screening and Bioassays
作者:
Guoping Hu, Xi Li, Xuan Zhang, Yaozong Li, Lei Ma, Liumeng Yang, Guixia Liu, Weihua Li, Jin Huang, Xu Shen, Lihong Hu, Yongtang Zheng and Yun Tang*
期刊:
J. Med. Chem.
信息:
2012
| Vol.55
| 10108-10117
Synthesis, Structure–Activity Relationship, and Pharmacophore Modeling Studies of Pyrazole-3-Carbohydrazone Derivatives as Dipeptidyl Peptidase IV Inhibitors
作者:
Deyan Wu, Fangfang Jin, Weiqiang Lu, Jin Zhu, Cui Li, Wei Wang, Yun Tang, Hualiang Jiang, Jin Huang, Guixia Liu, and Jian Li
期刊:
Chem. Biol. Drug. Des.
信息:
2012
| Vol.79
| 897-906
Concise CuI-Catalyzed Azide-Alkyne 1,3-Dipolar Cycloaddition Reaction Ligation Remarkably Enhances the Corrosion Inhibitive Potency of Natural Amino Acids for Mild Steel in HCl
作者:
Qiong Deng, Xiaopeng He, Hongwei Shi, Baoqin Chen, Guixia Liu, Yun Tang, Yitao Long, Guorong Chen, and Kaixian Chen
期刊:
Ind. Eng. Chem. Res.
信息:
2012
| Vol.51
| 7160-7169
Identification of diverse dipeptidyl peptidase IV inhibitors via structure-based virtual screening
作者:
Cui Li, Weiqiang Lu, Chunhua Lu, Wen Xiao,Xu Shen, Jin Huang, Guixia Liu*, Yun Tang*
期刊:
J. Mol. Model.
信息:
2012
| Vol.18
| 4033-4042
Performance Evaluation of 2D Fingerprint and 3D Shape Similarity Methods in Virtual Screening
作者:
Guoping Hu, Guanglin Kuang, Wen Xiao, Weihua Li, Guixia Liu, Yun Tang*
期刊:
J. Chem. Inf. Model
信息:
2012
| 52(5)
| 1103-1113
Discovery and Structure-Activity Analysis of Selective Estrogen Receptor Modulators via Similarity-Based Virtual Screening
作者:
Jie Shen, Jing Jiang, Guanglin Kuang, Chengfang Tan, Guixia Liu, Jin Huang*, and Yun Tang*
期刊:
Euro. J. Med. Chem.
信息:
2012
| Vol.54
| 188-196
Discovery of novel EGFR tyrosine kinase inhibitors by structure-based virtual screening
作者:
Siyuan Li, Xianqiang Sun, Hongli Zhao, Yun Tang*, Minbo Lan*
期刊:
Bioorg. Med. Chem. Lett.
信息:
2012
| 22(12)
| 4004-4009
Synthesis and biological evaluation of quinazoline and quinoline bearing 2,2,6,6-tetramethylpiperidine-N-oxyl as potential epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors and EPR bio-probe agents
作者:
Siyuan Li, Chunying Guo, Xianqiang Sun, Yaozong Li, Hongli Zhao, Dongmei Zhan, Minbo Lan*, Yun Tang*
期刊:
Euro. J. Med. Chem.
信息:
2012
| Vol.49
| 271-278
Investigation of indazole unbinding pathways in CYP2E1 by molecular dynamics simulations
作者:
Zhonghua Shen, Feixiong Cheng, You Xu, Jing Fu, Wen Xiao, Jie Shen, Guixia Liu, Weihua Li*, and Yun Tang*
期刊:
PLoS One
信息:
2012
| 7(3)
| e33500
Lee* and Yun Tang*
作者:
Feixiong Cheng, Yutaka Ikenaga, Yadi Zhou, Yue Yu, Weihua Li, Jie Shen, Zheng Du, Lei Chen, Congyin Xu, Guixia Liu, Philip W
期刊:
In Silico Assessment of Chemical Biodegradability. J. Chem. Inf. Model.
信息:
2012
| 52(3)
| 655-669
In Silico Investigation of Interactions between Human Cannabinoid Receptor-1 and Its Antagonists
作者:
Guanglin Kuang, Guoping Hu, Xianqiang Sun, Weihua Li, Guixia Liu, Yun Tang*
期刊:
J. Mol. Model.
信息:
2012
| 18(8)
| 3831-3845
Novel triazolyl bis-amino acid derivatives readily synthesized via click chemistry as potential corrosion inhibitors for mild steel in HCl
作者:
Qiong Deng, Hong-Wei Shi, Bao-Qin Chen, Xiao-Peng He, Guixia Liu, Yun Tang, Yi-Tao Long, Guo-Rong Chen
期刊:
Corros. Sci.
信息:
2012
| Vol.57
| 220-227
2011
13Click to a focused library of benzyl 6-triazolo(hydroxy)benzoic glucosides: Novel construction of PTP1B inhibitors on a sugar scaffold
作者:
Cui Li, Xiao-Peng He, Yin-Jie Zhang, Zhen Li, Li-Xin Gao, Xiao-Xin Shi, Juan Xie, Jia Li, Guo-Rong Chen*, Yun Tang*
期刊:
Euro. J. Med. Chem.
信息:
2011
| Vol.46
| 4212-4218
An Unusual (R)-Selective Epoxide Hydrolase with High Activity for Facile Preparation of Enantiopure Glycidyl Ethers
作者:
Jing Zhao, Yan-Yan Chu, Ai-Tao Li, Xin Ju, Xu-Dong Kong, Jiang Pan, Yun Tang* and Jian-He Xu*
期刊:
Adv. Synth. Catal.
信息:
2011
| Vol.353
| 1510-1518
Computational Insights into Ligand Selectivity of Estrogen Receprors from Pharmacophore Modeling
作者:
Jing Fang, Jie Shen, Feixiong Cheng, Zhejun Xu, Guixia Liu, and Yun Tang*
期刊:
Mol. Inf.
信息:
2011
| Vol.30
| 539-549
Computational insights into the different catalytic activities of CYP2A13 and CYP2A6 on NNK
作者:
You Xu, Zhonghua Shen, Jie Shen, Guixia Liu, Weihua Li*, and Yun Tang*
期刊:
J. Mol. Graph. Model.
信息:
2011
| Vol.30
| 1-9
Lee, and Yun Tang*
作者:
Feixiong Cheng, Yue Yu, Jie Shen, Lei Yang, Weihua Li*, Guixia Liu, Philip W
期刊:
Classification of Cytochrome P450 Inhibitors and non-Inhibitors using Combined Classifiers. J. Chem. Inf. Model.
信息:
2011
| 51(5)
| 996-1011
Possible Ligand Release Pathway of Dipeptidyl Peptidase IV Investigated by Molecular Dynamics Simulations
作者:
Cui Li, Jie Shen, Weihua Li, Chunhua Lu, Guixia Liu*, Yun Tang*
期刊:
Proteins: Structure, Function and Bioinformatics.
信息:
2011
| 79(6)
| 1800-1809
Exploring coumarin egress channels in human cytochrome P450 2A6 by random acceleration and steered molecular dynamics simulations
作者:
Weihua Li, Jie Shen, Guixia Liu, Tang Yun*, Tyuji Hoshino*
期刊:
Proteins
信息:
2011
| 79(1)
| 271-281
Lee, Tang Yun*
作者:
Cheng Feixiong, Shen Jie, Yu Yue, Li Weihua*, Liu Guixia, Philip W
期刊:
In silico prediction of Tetrahymena pyriformis toxicity for diverse industrial chemicals with substructure pattern recognition and machine learning methods. Chemosphere
信息:
2011
| 82(11)
| 1636-1643
Identification of small molecular inhibitors for Ero1p by structure-based virtual screening
作者:
Chu Yanyan, Chen Xianjun, Yang Yi*, Tang Yun*
期刊:
Bioorg. Med. Chem. Lett.
信息:
2011
| 21(4)
| 1118-1121
Computational investigation of interactions between human H2 receptor and its agonists
作者:
Sun Xianqiang, Li Yaozong, Li Weihua, Xu Zhejun, Tang Yun*
期刊:
J. Mol. Graph. Modelling
信息:
2011
| 29(5)
| 693-701
Crucial role of the first CXXC motif of human QSOX 1b in protein thiol oxidation
作者:
Zheng Wenyun, Chu Yanyan, Yin Qin, Xu Lei, Yang Charles, Zhang Wenyao, Tang Yun*, Yang Yi*
期刊:
J. Biochemistry
信息:
2011
| 149(3)
| 293-300
Insights into subtype selectivity of opioid agonists by ligand-based and structure-based methods
作者:
Jianxin Cheng, Guixia Liu*, Jing Zhang, Zhejun Xu and Yun Tang*
期刊:
J Mol Model.
信息:
2011
| Vol.17
| 477-493
Insights into binding modes of 5-HT2c receptor antagonists with ligand-based and receptor-based methods
作者:
Chunhua Lu, Fangfang Jin, Cui Li, Weihua Li, Guixia Liu*, Yun Tang*
期刊:
J Mol Model
信息:
2011
| 17(10)
| 2513-2523