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Discovery of a potent and selective adenylyl cyclase type 8 agonist by docking-based virtual screening 期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2020, 卷号: 30, 期号: 2, 页码: 7
作者:  Weng, Zhiying;  Xu, Guowei;  Chen, Dingyuan;  Yang, Yaqing;  Song, Gao;  Shen, Wen;  Zhang, Shuqun;  Wang, LiangLiang;  Yang, Weimin;  Zuo, Zhili
收藏  |  浏览/下载：186/0  |  提交时间：2020/03/18
Adenylyl cyclases  Homology modeling  Consensus scoring  Molecular dynamics simulation  Virtual screening  Biological evaluation  
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
Adobe PDF(1542Kb)  |  收藏  |  浏览/下载：288/74  |  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
Adobe PDF(1462Kb)  |  收藏  |  浏览/下载：173/36  |  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
Adobe PDF(7335Kb)  |  收藏  |  浏览/下载：248/27  |  提交时间：2019/07/29
Pharmacophore modeling  Molecular docking  Quantitative structure activity relationship (QSAR)  Molecular dynamics  AMPK  Activator  
Antiproliferative Aspidosperma-Type Monoterpenoid Indole Alkaloids from Bousigonia mekongensis Inhibit Tubulin Polymerization 期刊论文
MOLECULES, 2019, 卷号: 24, 期号: 7, 页码: 10
作者:  Zhang, Yu;  Goto, Masuo;  Oda, Akifumi;  Hsu, Pei-Ling;  Guo, Ling-Li;  Fu, Yan-Hui;  Morris-Natschke, Susan L.;  Hamel, Ernest;  Lee, Kuo-Hsiung;  Hao, Xiao-Jiang
浏览  |  Adobe PDF(3129Kb)  |  收藏  |  浏览/下载：232/26  |  提交时间：2019/07/29
aspidosperma-type  monoterpenoid indole alkaloids  antiproliferative activity  tubulin inhibitor  Bousigonia mekongensis  
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：261/42  |  提交时间：2019/03/25
IDO1  Molecular docking  HipHop pharmacophore  3D-QSAR  PAINS  
Synthesis, structure activity relationship and in vitro anti-influenza virus activity of novel polyphenol-pentacyclic triterpene conjugates 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 163, 页码: 560-568
作者:  Li, Haiwei;  Li, Man;  Xu, Renyang;  Wang, Shouxin;  Zhang, Yongmin;  Zhang, Lihe;  Zhou, Demin;  Xiao, Sulong
浏览  |  Adobe PDF(1830Kb)  |  收藏  |  浏览/下载：209/28  |  提交时间：2019/03/25
Influenza virus  Pentacyclic triterpene  Polyphenol  Entry inhibitor  Hemagglutinin  
Identification of new diterpene esters from green Arabica coffee beans, and their platelet aggregation accelerating activities 期刊论文
FOOD CHEMISTRY, 2018, 卷号: 263, 页码: 251-257
作者:  Wang, Xia;  Meng, QianQian;  Peng, XingRong;  Hu, GuiLin;  Qiu, MingHua
浏览  |  Adobe PDF(416Kb)  |  收藏  |  浏览/下载：379/47  |  提交时间：2018/07/16
Coffea Arabica  Coffee Lipids  Diterpene Esters  Structure Elucidation  Platelet Aggregation  
Pharmacophore modeling, molecular docking and molecular dynamics simulations toward identifying lead compounds for Chk1 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2018, 卷号: 76, 页码: 53-60
作者:  Li, Yaping;  Peng, Jiale;  Zhou, Yeheng;  Li, Penghua;  Li, Yingying;  Liu, Xingyong;  Siddique, Abu Nasar;  Zhang, Li;  Zuo, Zhili
收藏  |  浏览/下载：146/0  |  提交时间：2018/11/12
Checkpoint kinase 1 inhibitor  Virtual screening  Pharmacophore modeling  Molecular docking  Molecular dynamics simulations  
Discovery of novel wee1 inhibitors via structure-based virtual screening and biological evaluation 期刊论文
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2018, 卷号: 32, 期号: 9, 页码: 901-915
作者:  Li, Yaping;  Pu, Yinglan;  Liu, Hui;  Zhang, Li;  Liu, Xingyong;  Li, Yan;  Zuo, Zhili
收藏  |  浏览/下载：425/0  |  提交时间：2018/11/06
Wee1 inhibitors  Pharmacophore model  Molecular docking  Virtual screening  Molecular dynamics simulation