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Enantioselective access to tricyclic tetrahydropyran derivatives by a remote hydrogen bonding mediated intramolecular IEDHDA reaction 期刊论文
NATURE COMMUNICATIONS, 2021, 卷号: 12, 期号: 1, 页码: 7188
作者:  Jin,Min;  Tang,Congyun;  Li,Yingying;  Yang,Shuai;  Yang,Ying-Tao;  Peng,Lin;  Li,Xiao-Nian;  Zhang,Wenjing;  Zuo,Zhili;  Gagosz,Fabien;  Wang,Liang-Liang
浏览  |  Adobe PDF(2328Kb)  |  收藏  |  浏览/下载：102/17  |  提交时间：2022/04/02
DIELS-ALDER REACTION  BIOMIMETIC TOTAL-SYNTHESIS  ORTHO-QUINONE METHIDES  BRONSTED ACID  CYCLIZATION  ACTIVATION  OLEFINS  CYCLOADDITIONS  CATALYSIS  ENTRY  
Oligosaccharides from fucosylated glycosaminoglycan prevent breast cancer metastasis in mice by inhibiting heparanase activity and angiogenesis 期刊论文
PHARMACOLOGICAL RESEARCH, 2021, 卷号: 166, 页码: 105527
作者:  Zhou,Lutan;  Yin,Ronghua;  Gao,Na;  Sun,Huifang;  Chen,Dingyuan;  Cai,Ying;  Ren,Lin;  Yang,Lian;  Zuo,Zhili;  Zhang,Hongbin;  Zhao,Jinhua
浏览  |  Adobe PDF(8336Kb)  |  收藏  |  浏览/下载：71/11  |  提交时间：2022/04/02
Oligosaccharides  Heparanase  Angiogenesis  Metastasis  FIBROBLAST-GROWTH-FACTOR  TUMOR-GROWTH  SULFATE PROTEOGLYCANS  MAMMALIAN HEPARANASE  COMBINATION  MECHANISMS  DISCOVERY  BINDING  TARGET  PI-88  
Identification of Novel TRPC5 Inhibitors by Pharmacophore-Based and Structure-Based Approaches 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2020
作者:  Li, Shuxiang;  Zhang, Shuqun;  Chen, Dingyuan;  Jiang, Xuan;  Liu, Bin;  Zhang, Hongbin;  Rachakunta, Munikishore;  Zuo, Zhili
浏览  |  Adobe PDF(4261Kb)  |  收藏  |  浏览/下载：112/32  |  提交时间：2021/01/05
The discovery, design and synthesis of potent agonists of adenylyl cyclase type 2 by virtual screening combining biological evaluation 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2020
作者:  Xu, Guowei;  Yang, Yaqing;  Yang, Yanming;  Song, Gao;  Li, Shanshan;  Zhang, Jiajun;  Yang, Weimin;  Wang, Liang-Liang;  Weng, Zhiying;  Zuo, Zhili
浏览  |  Adobe PDF(2526Kb)  |  收藏  |  浏览/下载：102/27  |  提交时间：2021/01/05
Computational simulation studies on the binding selectivity of Wee1 and Checkpoint kinase 1 by molecular dynamics simulation combined with free energy calculations 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2020
作者:  Li, Yaping;  Liu, Xingyong;  Zhang, Shuqun;  Wang, Liangliang;  Zhang, Li;  Zuo, Zhili
浏览  |  Adobe PDF(2066Kb)  |  收藏  |  浏览/下载：139/19  |  提交时间：2021/01/05
Discovery of highly functionalized 5,6-seco-grayanane diterpenoids as potent competitive PTP1B inhibitors 期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2020
作者:  Zhou, Junfei;  Zuo, Zhili;  Liu, Junjun;  Zhang, Hanqi;  Zheng, Guijuan;  Yao, Guangmin
浏览  |  Adobe PDF(1539Kb)  |  收藏  |  浏览/下载：114/23  |  提交时间：2021/01/05
Homology modeling and 3D-QSAR study of benzhydrylpiperazine delta opioid receptor agonists 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 83, 页码: 9
作者:  Pan, Chenling;  Meng, Hao;  Zhang, Shuqun;  Zuo, Zhili;  Shen, Yuehai;  Wang, Liangliang;  Chang, Kwen-Jen
浏览  |  Adobe PDF(1542Kb)  |  收藏  |  浏览/下载：249/73  |  提交时间：2020/03/18
delta opioid receptor agonists  3D-QSAR  Homology modeling  Molecular dynamics simulation  Molecular docking  
Identification of novel monoamine oxidase selective inhibitors employing a hierarchical ligand-based virtual screening strategy 期刊论文
FUTURE MEDICINAL CHEMISTRY, 2019, 卷号: 11, 期号: 8, 页码: 801-816
作者:  Wang, Dong;  Li, Zhaoyang;  Liu, Yi;  Chen, Mo;  Chen, Nianhang;  Zuo, Zhili;  Kong, De-Xin
浏览  |  Adobe PDF(1462Kb)  |  收藏  |  浏览/下载：143/28  |  提交时间：2019/09/10
BRS-3D  monoamine oxidase selective inhibitors  virtual screening  
Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 79, 页码: 165-176
作者:  Li, Yingying;  Peng, Jiale;  Li, Penghua;  Du, Haibo;  Li, Yaping;  Liu, Xingyong;  Zhang, Li;  Wang, Liang-Liang;  Zuo, Zhili
浏览  |  Adobe PDF(7335Kb)  |  收藏  |  浏览/下载：225/25  |  提交时间：2019/07/29
Pharmacophore modeling  Molecular docking  Quantitative structure activity relationship (QSAR)  Molecular dynamics  AMPK  Activator  
Discovery of novel indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors by virtual screening 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 78, 页码: 306-316
作者:  Zhou, Yeheng;  Peng, Jiale;  Li, Penghua;  Du, Haibo;  Li, Yaping;  Li, Yingying;  Zhang, Li;  Sun, Wei;  Liu, Xingyong;  Zuo, Zhili
浏览  |  Adobe PDF(2732Kb)  |  收藏  |  浏览/下载：236/42  |  提交时间：2019/03/25
IDO1  Molecular docking  HipHop pharmacophore  3D-QSAR  PAINS