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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
Adobe PDF(1542Kb)  |  收藏  |  浏览/下载：247/73  |  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
Adobe PDF(1462Kb)  |  收藏  |  浏览/下载：142/28  |  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
Adobe PDF(7335Kb)  |  收藏  |  浏览/下载：221/25  |  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
Adobe PDF(2732Kb)  |  收藏  |  浏览/下载：235/42  |  提交时间：2019/03/25
IDO1  Molecular docking  HipHop pharmacophore  3D-QSAR  PAINS  
Structure-Activity Relationship of Xanthones as Inhibitors of Xanthine Oxidase 期刊论文
MOLECULES, 2018, 卷号: 23, 期号: 2, 页码: 365
作者:  Zhou, Ling-Yun;  Peng, Jia-Le;  Wang, Jun-Ming;  Geng, Yuan-Yuan;  Zuo, Zhi-Li;  Hua, Yan
Adobe PDF(2334Kb)  |  收藏  |  浏览/下载：186/40  |  提交时间：2018/05/08
Xanthone  Xanthine Oxidase Inhibitors  3d-qsar  Gout  
Virtual screening of B-Raf kinase inhibitors: A combination of pharmacophore modelling, molecular docking, 3D-QSAR model and binding free energy calculation studies 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2017, 卷号: 70, 页码: 186-190
作者:  Zhang, Wen;  Qiu, Kai-Xiong;  Yu, Fang;  Xie, Xiao-Guang;  Zhang, Shu-Qun;  Chen, Ya-Juan;  Xie, Hui-Ding
Adobe PDF(371Kb)  |  收藏  |  浏览/下载：117/21  |  提交时间：2017/12/11
B-raf Kinase Inhibitors  Virtual Screening  Pharmacophore  Molecular Docking  3d Qsar  Binding Free Energy Calculation  
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
Adobe PDF(1591Kb)  |  收藏  |  浏览/下载：300/64  |  提交时间：2017/05/19
Bace1  Ad  Hqsar  Comfa  Comsia  
Design and prediction of new acetylcholinesterase inhibitor via quantitative structure activity relationship of huprines derivatives 期刊论文
ARCHIVES OF PHARMACAL RESEARCH, 2016, 卷号: 39, 期号: 5, 页码: 591-602
作者:  Zhang, Shuqun;  Hou, Bo;  Yang, Huaiyu;  Zuo, Zhili
Adobe PDF(1125Kb)  |  收藏  |  浏览/下载：230/78  |  提交时间：2016/08/22
Ache  Ad  Hqsar  Comfa  Comsia  Huprines Inhibitors  
Multicomplex-Based Pharmacophore-Guided 3D-QSAR Studies of N-Substituted 2'-(Aminoaryl)Benzothiazoles as Aurora-A Inhibitors 期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2012, 卷号: 79, 期号: 6, 页码: 960-971
作者:  He, Gu;  Qiu, Minghua;  Li, Rui;  Ouyang, Liang;  Wu, Fengbo;  Song, Xiangrong;  Cheng, Li;  Xiang, Mingli;  Yu, Luoting
Adobe PDF(1377Kb)  |  收藏  |  浏览/下载：276/83  |  提交时间：2012/06/07
3d-qsar  Aurora-a  Kinase Inhibitors  Multicomplex-based Pharmacophore(Mcbp)  Pharmacophore  
Protein-based alignment in 3D-QSAR of FBPase inhibitors 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2011, 卷号: 46, 期号: 3, 页码: 885-892
作者:  Yi, Ping;  Di, Ying-Tong;  Liu, Wei;  Hao, Xiao-Jiang;  Ming, Yong;  Huang, Du-Shu;  Yang, Jin;  Yi, Zhong-Zhou;  Li, Zi-Jing;  Yang, Rui-Dong;  Zhang, Ju-Cheng
Adobe PDF(777Kb)  |  收藏  |  浏览/下载：390/161  |  提交时间：2012/04/10
3d-qsar  Gold  Comfa  Fbpase