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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：275/73  |  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：157/30  |  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：238/25  |  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：253/42  |  提交时间：2019/03/25
IDO1  Molecular docking  HipHop pharmacophore  3D-QSAR  PAINS  
Discovery of FIXa inhibitors by combination of pharmacophore modeling, molecular docking, and 3D-QSAR modeling 期刊论文
JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION, 2018, 卷号: 38, 期号: 3, 页码: 246-255
作者:  Li, Penghua;  Peng, Jiale;  Zhou, Yeheng;  Li, Yaping;  Liu, XingYong;  Wang, LiangLiang;  Zuo, ZhiLi
浏览  |  Adobe PDF(2006Kb)  |  收藏  |  浏览/下载：258/37  |  提交时间：2018/12/27
Comparative QSAR studies using HQSAR, CoMFA, and CoMSIA methods on cyclic sulfone hydroxyethylamines as BACE1 inhibitors 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2017, 卷号: 67, 期号: 1, 页码: 38-47
作者:  Zhang, Shuqun;  Lin, Zichun;  Pu, Yinglan;  Zhang, Yunqin;  Zhang, Li;  Zuo, Zhili
浏览  |  Adobe PDF(1591Kb)  |  收藏  |  浏览/下载：308/64  |  提交时间：2017/05/19
Bace1  Ad  Hqsar  Comfa  Comsia  
Discovery of new dual binding TNKS inhibitors of Wnt signaling inhibition by pharmacophore modeling, molecular docking and bioassay 期刊论文
MOLECULAR BIOSYSTEMS, 2017, 卷号: 13, 期号: 2, 页码: 363-370
作者:  Pu, Yinglan;  Zhang, Shuqun;  Chang, Zhe;  Zhang, Yunqin;  Wang, Dong;  Zhang, Li;  Li, Yan;  Zuo, Zhili
浏览  |  Adobe PDF(972Kb)  |  收藏  |  浏览/下载：686/118  |  提交时间：2017/05/19
Melokhanines A-J, Bioactive Monoterpenoid Indole Alkaloids with Diverse Skeletons from Melodinus khasianus 期刊论文
JOURNAL OF NATURAL PRODUCTS, 2016, 卷号: 79, 期号: 9, 页码: 2158-2166
作者:  Cheng, Gui-Guang;  Li, Dan;  Hou, Bo;  Li, Xiao-Nian;  Liu, Lu;  Chen, Ying-Ying;  Lunga, Paul-Keilah;  Khan, Afsar;  Liu, Ya-Ping;  Zuo, Zhi-Li;  Luo, Xiao-Dong
浏览  |  Adobe PDF(1399Kb)  |  收藏  |  浏览/下载：256/61  |  提交时间：2017/01/05
Hydrogen bonding-promoted efficient Ru-catalyzed ring-closing metathesis of demanding homoallyl 2-(hydroxymethyl)acrylates 期刊论文
ORGANIC & BIOMOLECULAR CHEMISTRY, 2016, 卷号: 14, 期号: 45, 页码: 10705-10713
作者:  Feng, Liang;  Liu, Yuehui;  Hou, Bo;  Yuan, Zaifeng;  Yu, Fu-Chao;  Yan, Tingbin;  Qin, Qi;  Ji, Ruigeng;  Li, Ya-Min;  Shen, Yuehai;  Zuo, Zhi-Li
浏览  |  Adobe PDF(1602Kb)  |  收藏  |  浏览/下载：199/41  |  提交时间：2017/02/14
The discovery of new acetylcholinesterase inhibitors derived from pharmacophore modeling, virtual screening, docking simulation and bioassays 期刊论文
MOLECULAR BIOSYSTEMS, 2016, 卷号: 12, 期号: 12, 页码: 3734-3742
作者:  Zhang, Yunqin;  Zhang, Shuqun;  Xu, Guowei;  Yan, Hui;  Pua, Yinglan;  Zuo, Zhili
浏览  |  Adobe PDF(1699Kb)  |  收藏  |  浏览/下载：161/48  |  提交时间：2017/02/14