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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
Adobe PDF(2328Kb)  |  收藏  |  浏览/下载：110/18  |  提交时间：2022/04/02
DIELS-ALDER REACTION  BIOMIMETIC TOTAL-SYNTHESIS  ORTHO-QUINONE METHIDES  BRONSTED ACID  CYCLIZATION  ACTIVATION  OLEFINS  CYCLOADDITIONS  CATALYSIS  ENTRY  
Discovery of novel inhibitors against main protease (Mpro) of SARS-CoV-2 via virtual screening and biochemical evaluation 期刊论文
BIOORGANIC CHEMISTRY, 2021, 卷号: 110, 页码: 104767
作者:  Guo,Sheng;  Xie,Hang;  Lei,Yu;  Liu,Bin;  Zhang,Li;  Xu,Yechun;  Zuo,Zhili
Adobe PDF(3181Kb)  |  收藏  |  浏览/下载：77/28  |  提交时间：2022/04/02
SARS-CoV-2  Main protease  Virtual screening  Biochemical evaluation  
Discovery of novel modulators targeting human TRPC5: Docking-based virtual screening, molecular dynamics simulation and binding af fi nity predication 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2021, 卷号: 102, 页码: 107795
作者:  Liu,Bin;  Zhang,Wei;  Guo,Sheng;  Zuo,Zhili
浏览  |  Adobe PDF(4277Kb)  |  收藏  |  浏览/下载：73/10  |  提交时间：2022/04/02
hTRPC5  Homology modeling  Molecular docking  Molecular dynamics simulation  Virtual screening  INHIBITOR  CHANNELS  GROMACS  POTENT  AMBER  IDENTIFICATION  CONSTRAINTS  INTEGRATION  AMYGDALA  
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：117/32  |  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：104/27  |  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
Adobe PDF(2066Kb)  |  收藏  |  浏览/下载：146/19  |  提交时间：2021/01/05
NMR characterization and anticoagulant activity of the oligosaccharides from the fucosylated glycosaminoglycan isolated from Holothuria coluber 期刊论文
CARBOHYDRATE POLYMERS, 2020
作者:  Yang, Wenjiao;  Chen, Dingyuan;  He, Zhicheng;  Zhou, Lutan;  Cai, Ying;  Mao, Hui;  Gao, Na;  Zuo, Zhili;  Yin, Ronghua;  Zhao, Jinhua
Adobe PDF(2127Kb)  |  收藏  |  浏览/下载：157/69  |  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
Ensemble-based virtual screening in discovering potent inhibitors targeting Von Hippel-Lindau (VHL) E3 ubiquitin ligase 期刊论文
LIFE SCIENCES, 2020
作者:  Liu, Yi;  Lei, Yu;  Guo, Sheng;  Zuo, Zhili
浏览  |  Adobe PDF(9965Kb)  |  收藏  |  浏览/下载：82/20  |  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：257/73  |  提交时间：2020/03/18
delta opioid receptor agonists  3D-QSAR  Homology modeling  Molecular dynamics simulation  Molecular docking