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1

Binding interaction of quercetin-3-β-galactoside and its synthetic derivatives with SARS-CoV 3CLpro: Structure–activity relationship studies reveal salient pharmacophore features

Lili Chen, Jian Li, Cheng Luo, Hong Liu, Weijun Xu, Gang Chen, Oi Wah Liew, Weiliang Zhu, Chum Mok Puah, Xu Shen, Hualiang Jiang

Journal:

Bioorganic & Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 733 KB

english, 2006

2

Progress in Clinical, Pharmacological, Chemical and Structural Biological Studies of Huperzine A: A Drug of Traditional Chinese Medicine Origin for the Treatment of Alzheimers Disease

Jiang, Hualiang, Luo, Xiaomin, Bai, Donglu

Journal:

Current Medicinal Chemistry

Year:

2003

Language:

english

File:

PDF, 533 KB

english, 2003

3

Ambient air pollution exposure and gestational diabetes mellitus in Guangzhou, China: A prospective cohort study

Zhang, Huanhuan, Dong, Haotian, Ren, Meng, Liang, Qianhong, Shen, Xiaoting, Wang, Qiang, Yu, Le, Lin, Hualiang, Luo, Qiwei, Chen, Weiyi, Knibbs, Luke D., Jalaludin, Bin, Wang, Qiong, Huang, Cunrui

Journal:

Science of The Total Environment

Year:

2020

Language:

english

File:

PDF, 1.01 MB

english, 2020

4

Conformational Transition and Energy Landscape of ErbB4 Activated by Neuregulin1β: One Microsecond Molecular Dynamics Simulations

Du, Yun, Yang, Huaiyu, Xu, Yechun, Cang, Xiaohui, Luo, Cheng, Mao, Yanyan, Wang, Yuanyuan, Qin, Guangrong, Luo, Xiaomin, Jiang, Hualiang

Journal:

Journal of the American Chemical Society

Year:

2012

Language:

english

File:

PDF, 5.50 MB

english, 2012

5

Severe acute respiratory syndrome coronavirus membrane protein interacts with nucleocapsid protein mostly through their carboxyl termini by electrostatic attraction

Haibin Luo, Dalei Wu, Can Shen, Kaixian Chen, Xu Shen, Hualiang Jiang

Journal:

The International Journal of Biochemistry & Cell Biology

Year:

2006

Language:

english

File:

PDF, 439 KB

english, 2006

6

Computational drug discovery

Ou-Yang, Si-sheng, Lu, Jun-yan, Kong, Xiang-qian, Liang, Zhong-jie, Luo, Cheng, Jiang, Hualiang

Journal:

Acta Pharmacologica Sinica

Year:

2012

Language:

english

File:

PDF, 2.06 MB

english, 2012

7

Design, Synthesis, and Interaction Study of Quinazoline-2(1 H )-thione Derivatives as Novel Potential Bcl-x L Inhibitors

Feng, Yu, Ding, Xiao, Chen, Tao, Chen, Lili, Liu, Fang, Jia, Xu, Luo, Xiaomin, Shen, Xu, Chen, Kaixian, Jiang, Hualiang, Wang, Hui, Liu, Hong, Liu, Dongxiang

Journal:

Journal of Medicinal Chemistry

Year:

2010

Language:

english

File:

PDF, 2.92 MB

english, 2010

8

Computational Screening for Active Compounds Targeting Protein Sequences: Methodology and Experimental Validation

Wang, Fei, Liu, Dongxiang, Wang, Heyao, Luo, Cheng, Zheng, Mingyue, Liu, Hong, Zhu, Weiliang, Luo, Xiaomin, Zhang, Jian, Jiang, Hualiang

Journal:

Journal of Chemical Information and Modeling

Year:

2011

Language:

english

File:

PDF, 4.80 MB

english, 2011

9

How Does Influenza Virus A Escape from Amantadine?

Qin, Guangrong, Yu, Kunqian, Shi, Ting, Luo, Cheng, Li, Guohui, Zhu, Weiliang, Jiang, Hualiang

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 3.21 MB

english, 2010

10

Temperature–mortality relationship in four subtropical Chinese cities: A time-series study using a distributed lag non-linear model

Wu, Wei, Xiao, Yize, Li, Guangchun, Zeng, Weilin, Lin, Hualiang, Rutherford, Shannon, Xu, Yanjun, Luo, Yuan, Xu, Xiaojun, Chu, Cordia, Ma, Wenjun

Journal:

Science of The Total Environment

Year:

2013

Language:

english

File:

PDF, 877 KB

english, 2013

11

An Overall Picture of SARS Coronavirus (SARS-CoV) Genome-Encoded Major Proteins: Structures, Functions and Drug Development

Chen, Shuai, Luo, Haibin, Chen, Lili, Chen, Jing, Shen, Jianhua, Zhu, Weiliang, Chen, Kaixian, Shen, Xu, Jiang, Hualiang

Journal:

Current Pharmaceutical Design

Year:

2006

Language:

english

File:

PDF, 365 KB

english, 2006

12

A computational investigation on the substrate preference of ten-eleven-translocation 2 (TET2)

Lu, Junyan, Hu, Lulu, Cheng, Jingdong, Fang, Dong, Wang, Chen, Yu, Kunqian, Jiang, Hualiang, Cui, Qiang, Xu, Yanhui, Luo, Cheng

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 3.09 MB

english, 2016

13

Discovery of Novel Inhibitors Targeting Menin-Mixed Lineage Leukemia (MLL) Interface Using Pharmacophore- and Docking-Based Virtual Screening

Xu, Yuan, Yue, Liyan, Wang, Yulan, Xing, Jing, Chen, Zhifeng, Shi, Zhe, Liu, Rongfeng, Liu, Yu-Chih, Luo, Xiaomin, Jiang, Hualiang, Chen, Kaixian, Luo, Cheng, Zheng, Mingyue

Journal:

Journal of Chemical Information and Modeling

Year:

2016

Language:

english

File:

PDF, 3.07 MB

english, 2016

14

In silico ADME/T modelling for rational drug design

Wang, Yulan, Xing, Jing, Xu, Yuan, Zhou, Nannan, Peng, Jianlong, Xiong, Zhaoping, Liu, Xian, Luo, Xiaomin, Luo, Cheng, Chen, Kaixian, Zheng, Mingyue, Jiang, Hualiang

Journal:

Quarterly Reviews of Biophysics

Year:

2015

Language:

english

File:

PDF, 830 KB

english, 2015

15

Discovery of novel trimethoxy-ring BRD4 bromodomain inhibitors : Alphascreening, crystallography and cell-based assay

Chen, Zhifeng, Zhang, Hao, liu, shien, Xie, Yiqian, Jiang, Hao, Lu, Wenchao, Xu, Heng, Yue, Liyan, Zhang, yuanyuan, Ding, Hong, Yu, Kunqian, Zheng, Mingyue, Chen, Kaixian, Jiang, Hualiang, Luo, Cheng

Journal:

Year:

2017

Language:

english

File:

PDF, 1.66 MB

english, 2017

16

The Mechanism by which Luteolin Disrupts the Cytoplasmic Membrane of Methicillin-Resistant Staphylococcus Aureus

Zhang, Tao, Qiu, Yunguang, Luo, Qichao, Zhao, Lifen, Yan, Xin, Ding, Qiaoce, Jiang, Hualiang, Yang, Huaiyu

Journal:

Journal of Physical Chemistry B

Year:

2018

Language:

english

File:

PDF, 3.04 MB

english, 2018

17

The spatial distribution of health vulnerability to heat waves in Guangdong Province, China

Zhu, Qi, Liu, Tao, Lin, Hualiang, Xiao, Jianpeng, Luo, Yuan, Zeng, Weilin, Zeng, Siqing, Wei, Yao, Chu, Cordia, Baum, Scott, Du, Yaodong, Ma, Wenjun

Journal:

Global Health Action

Year:

2014

Language:

english

File:

PDF, 1.03 MB

english, 2014

18

Gray matter volumes of insular subregions are not correlated with smoking cessation outcomes but negatively correlated with nicotine dependence severity in chronic smokers

Wang, Chao, Huang, Peiyu, Shen, Zhujing, Qian, Wei, Li, Kaicheng, Luo, Xiao, Zeng, Qingze, Guo, Tao, Yu, Hualiang, Yang, Yihong, Zhang, Minming

Journal:

Neuroscience Letters

Year:

2019

Language:

english

File:

PDF, 390 KB

english, 2019

19

Molecular dynamics simulation revealed the intrinsic conformational change of cellular inhibitor of apoptosis protein-1

Xu, Heng, Tang, Zhengkuan, Zuo, Yu, Xiong, Fengmin, Chen, Kaixian, Jiang, Hualiang, Luo, Cheng, Zhang, Hao

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2019

Language:

english

File:

PDF, 1007 KB

english, 2019

20

Pushing the boundaries of molecular representation for drug discovery with graph attention mechanism

Xiong, Zhaoping, Wang, Dingyan, Liu, Xiaohong, Zhong, Feisheng, Wan, Xiaozhe, Li, Xutong, Li, Zhaojun, Luo, Xiaomin, Chen, Kaixian, Jiang, Hualiang, Zheng, Mingyue

Journal:

Journal of Medicinal Chemistry

Year:

2019

Language:

english

File:

PDF, 3.66 MB

english, 2019

21

Structure-based drug optimization and biological evaluation of tetrahydroquinolin derivatives as selective and potent CBP bromodomain inhibitors

Bi, Xiaoyang, Chen, Yu, Sun, Zhongya, Lu, Wenchao, Xu, Pan, Lu, Tian, Ding, Hong, Zhang, Naixia, Jiang, Hualiang, Chen, Kaixian, Zhou, Bing, Luo, Cheng

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2020

File:

PDF, 3.95 MB

2020

22

ChemInform Abstract: Efficient Synthesis of α-Aryl-/Heteroaryl-Substituted β-Amino Acids via Ni(II) Complex Through the Suzuki Coupling Reaction.

Xiao Ding, Deju Ye, Fang Liu, Guanghui Deng, Guannan Liu, Xiaomin Luo, Hualiang Jiang, Hong Liu

Journal:

Year:

2009

File:

PDF, 38 KB

2009

23

Chemical and biochemical approaches in the study of histone methylation and demethylation

Keqin Kathy Li, Cheng Luo, Dongxia Wang, Hualiang Jiang, Y. George Zheng

Journal:

Medicinal Research Reviews

Year:

2012

Language:

english

File:

PDF, 1.16 MB

english, 2012

24

Elucidating inhibitory models of the inhibitors of epidermal growth factor receptor by docking and 3D-QSAR

Gang Chen, Xiaomin Luo, Weiliang Zhu, Cheng Luo, Hong Liu, Chum Mok Puah, Kaixian Chen, Hualiang Jiang

Journal:

Bioorganic & Medicinal Chemistry

Year:

2004

Language:

english

File:

PDF, 460 KB

english, 2004

25

Inhibitory mode of indole-2-carboxamide derivatives against HLGPa: molecular docking and 3D-QSAR analyses

Guixia Liu, Zhenshan Zhang, Xiaomin Luo, Jianhua Shen, Hong Liu, Xu Shen, Kaixian Chen, Hualiang Jiang

Journal:

Bioorganic & Medicinal Chemistry

Year:

2004

Language:

english

File:

PDF, 628 KB

english, 2004

26

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

Yong Xu, Hong Liu, Chunying Niu, Cheng Luo, Xiaomin Luo, Jianhua Shen, Kaixian Chen, Hualiang Jiang

Journal:

Bioorganic & Medicinal Chemistry

Year:

2004

Language:

english

File:

PDF, 980 KB

english, 2004

27

QSAR analyses on ginkgolides and their analogues using CoMFA, CoMSIA, and HQSAR

Weiliang Zhu, Gang Chen, Lihong Hu, Xiaomin Luo, Chunshan Gui, Cheng Luo, Chum Mok Puah, Kaixian Chen, Hualiang Jiang

Journal:

Bioorganic & Medicinal Chemistry

Year:

2005

Language:

english

File:

PDF, 557 KB

english, 2005

28

Molecular docking and 3D-QSAR studies on the binding mechanism of statine-based peptidomimetics with β-secretase

Zhili Zuo, Xiaomin Luo, Weiliang Zhu, Jianhua Shen, Xu Shen, Hualiang Jiang, Kaixian Chen

Journal:

Bioorganic & Medicinal Chemistry

Year:

2005

Language:

english

File:

PDF, 428 KB

english, 2005

29

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

Mingyue Zheng, Zhenshan Zhang, Weiliang Zhu, Hong Liu, Xiaomin Luo, Kaixian Chen, Hualiang Jiang

Journal:

Bioorganic & Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 1.35 MB

english, 2006

30

A fluorometric assay of SIRT1 deacetylation activity through quantification of nicotinamide adenine dinucleotide

Yu Feng, Jiahui Wu, Lei Chen, Chen Luo, Xu Shen, Kaixian Chen, Hualiang Jiang, Dongxiang Liu

Journal:

Analytical Biochemistry

Year:

2009

Language:

english

File:

PDF, 393 KB

english, 2009

31

Novel thiophene derivatives as PTP1B inhibitors with selectivity and cellular activity

Deju Ye, Yu Zhang, Fei Wang, Mingfang Zheng, Xu Zhang, Xiaomin Luo, Xu Shen, Hualiang Jiang, Hong Liu

Journal:

Bioorganic & Medicinal Chemistry

Year:

2010

Language:

english

File:

PDF, 408 KB

english, 2010

32

Farnesyltransferase pharmacophore model derived from diverse classes of inhibitors

Aijun Lu, Jian Zhang, Xiaojin Yin, Xiaomin Luo, Hualiang Jiang

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2007

Language:

english

File:

PDF, 731 KB

english, 2007

33

Indole derivatives as potent inhibitors of 5-lipoxygenase: Design, synthesis, biological evaluation, and molecular modeling

Mingfang Zheng, Mingyue Zheng, Deju Ye, Yangmei Deng, Shuifeng Qiu, Xiaomin Luo, Kaixian Chen, Hong Liu, Hualiang Jiang

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2007

Language:

english

File:

PDF, 394 KB

english, 2007

34

Identification and synthesis of N′-(2-oxoindolin-3-ylidene)hydrazide derivatives against c-Met kinase

Zhongjie Liang, Dengyou Zhang, Jing Ai, Limin Chen, Hengshuai Wang, Xiangqian Kong, Mingyue Zheng, Hong Liu, Cheng Luo, Meiyu Geng, Hualiang Jiang, Kaixian Chen

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2011

Language:

english

File:

PDF, 3.28 MB

english, 2011

35

In vitro biochemical and thermodynamic characterization of nucleocapsid protein of SARS

Haibin Luo, Fei Ye, Tao Sun, Liduo Yue, Shuying Peng, Jing Chen, Guowei Li, Yi Du, Youhua Xie, Yiming Yang, Jianhua Shen, Yuan Wang, Xu Shen, Hualiang Jiang

Journal:

Biophysical Chemistry

Year:

2004

Language:

english

File:

PDF, 619 KB

english, 2004

36

Structure-Based Discovery of Potassium Channel Blockers from Natural Products: Virtual Screening and Electrophysiological Assay Testing

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

Journal:

Chemistry & Biology

Year:

2003

Language:

english

File:

PDF, 305 KB

english, 2003

37

A computational study on electron transfer mechanism between alkaline earth metal atoms and cyclooctatetraene to form cation–π bonded complexes

Zhen Gong, Hongying Shen, Weiliang Zhu, Xiaomin Luo, Kaixian Chen, Hualiang Jiang

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 613 KB

english, 2006

38

Tryptophan-containing dipeptide derivatives as potent PPARγ antagonists: Design, synthesis, biological evaluation, and molecular modeling

Guanghui Deng, Zhiguo Liu, Fei Ye, Xiaomin Luo, Weiliang Zhu, Xu Shen, Hong Liu, Hualiang Jiang

Journal:

European Journal of Medicinal Chemistry

Year:

2008

Language:

english

File:

PDF, 1.52 MB

english, 2008

39

The interaction model between metal cation and tropylium: a quantum chemistry predication

Weiliang Zhu, Tong Liu, Jianhua Shen, Xiaomin Luo, Xiaojian Tan, Chum Mok Puah, Hualiang Jiang, Kaixian Chen

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 158 KB

english, 2002

40

Binding analyses between Human PPARγ–LBD and ligands : Surface plasmon resonance biosensor assay correlating with circular dichroic spectroscopy determination and molecular docking

Changying Yu, Lili Chen, Haibing Luo, Jing Chen, Feng Cheng, Chunshan Gui, Ruihao Zhang, Jianhua Shen, Kaixian Chen, Hualiang Jiang, Xu Shen

Journal:

Year:

2004

Language:

english

File:

PDF, 588 KB

english, 2004

41

Computational analysis of molecular basis of 1:1 interactions of NRG-1β wild-type and variants with ErbB3 and ErbB4

Cheng Luo, Lingfei Xu, Suxin Zheng, Xiaomin Luo, Jianhua Shen, Hualiang Jiang, Xifu Liu, Mingdong Zhou

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2005

Language:

english

File:

PDF, 1.43 MB

english, 2005

42

Understanding the regulation mechanisms of PAF receptor by agonists and antagonists: Molecular modeling and molecular dynamics simulation studies

Chunshan Gui, Weiliang Zhu, Gang Chen, Xiaomin Luo, Oi W. Liew, Chum M. Puah, Kaixian Chen, Hualiang Jiang

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2007

Language:

english

File:

PDF, 1.05 MB

english, 2007

43

Steered molecular dynamics simulations of protein-ligand interactions

Yechun Xu, Jianhua Shen, Xiaomin Luo, Xu Shen, Kaixian Chen, Hualiang Jiang

Journal:

Science China Chemistry

Year:

2004

Language:

english

File:

PDF, 817 KB

english, 2004

44

Structural insights into the effect of isonucleosides on B-DNA duplexes using molecular-dynamics simulations

Hongwei Jin, Suxin Zheng, Zhanli Wang, Cheng Luo, Jianhua Shen, Hualiang Jiang, Liangren Zhang, Lihe Zhang

Journal:

Journal of Molecular Modeling

Year:

2006

Language:

english

File:

PDF, 451 KB

english, 2006

45

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

Zhenshan Zhang, Mingyue Zheng, Li Du, Jianhua Shen, Xiaomin Luo, Weiliang Zhu, Hualiang Jiang

Journal:

Journal of Computer-Aided Molecular Design

Year:

2006

Language:

english

File:

PDF, 597 KB

english, 2006

46

QSAR analyses on avian influenza virus neuraminidase inhibitors using CoMFA, CoMSIA, and HQSAR

Mingyue Zheng, Kunqian Yu, Hong Liu, Xiaomin Luo, Kaixian Chen, Weiliang Zhu, Hualiang Jiang

Journal:

Journal of Computer-Aided Molecular Design

Year:

2006

Language:

english

File:

PDF, 875 KB

english, 2006

47

Fragment-based prediction of skin sensitization using recursive partitioning

Jing Lu, Mingyue Zheng, Yong Wang, Qiancheng Shen, Xiaomin Luo, Hualiang Jiang, Kaixian Chen

Journal:

Journal of Computer-Aided Molecular Design

Year:

2011

Language:

english

File:

PDF, 1.77 MB

english, 2011

48

Research progress in cation-π interactions

JiaGao Cheng, XiaoMin Luo, XiuHua Yan, Zhong Li, Yun Tang, HuaLiang Jiang, WeiLiang Zhu

Journal:

Science China Chemistry

Year:

2008

Language:

english

File:

PDF, 2.24 MB

english, 2008

49

GAsDock: a new approach for rapid flexible docking based on an improved multi-population genetic algorithm

Honglin Li, Chunlian Li, Chunshan Gui, Xiaomin Luo, Kaixian Chen, Jianhua Shen, Xicheng Wang, Hualiang Jiang

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2004

Language:

english

File:

PDF, 349 KB

english, 2004

50

Design, synthesis, and biological evaluation of the N-diarylalkenyl-piperidinecarboxylic acid derivatives as GABA uptake inhibitors (I)

Jianbin Zheng, Ren Wen, Xiaomin Luo, Guoqiang Lin, Jiange Zhang, Linfeng Xu, Lihe Guo, Hualiang Jiang

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2006

Language:

english

File:

PDF, 109 KB

english, 2006

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