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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：592/112  |  提交时间：2020/03/18
delta opioid receptor agonists  3D-QSAR  Homology modeling  Molecular dynamics simulation  Molecular docking  
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：425/51  |  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：457/74  |  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
浏览  |  Adobe PDF(2334Kb)  |  收藏  |  浏览/下载：522/90  |  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
浏览  |  Adobe PDF(371Kb)  |  收藏  |  浏览/下载：296/54  |  提交时间：2017/12/11
B-raf Kinase Inhibitors  Virtual Screening  Pharmacophore  Molecular Docking  3d Qsar  Binding Free Energy Calculation  
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：414/114  |  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：555/195  |  提交时间：2012/04/10
3d-qsar  Gold  Comfa  Fbpase  
Molecular docking-based 3D-QSAR studies of pyrrolo[3,4-c]pyrazole derivatives as Aurora-A inhibitors 期刊论文
MOLECULAR SIMULATION, 2011, 卷号: 37, 期号: 1, 页码: 31-42
He, G.; Qiu, M. H.; Li, R.; Song, X. R.; Zheng, X.; Shi, J. Y.; Xu, G. B.; Han, J.; Yu, L. T.; Yang, S. Y.; Chen, L. J.; Wei, Y. Q.
浏览  |  Adobe PDF(551Kb)  |  收藏  |  浏览/下载：487/142  |  提交时间：2012/10/12
Pyrrolo[3  4-c]Pyrazole Derivatives  3d-qsar  Molecular Docking  Comfa  Comsia  Kinase Inhibitors  Protein-kinase  Pharmacophore Model  Similarity Indexes  Analysis Comsia  Potent  Identification  Binding  Profile  Comfa  
3D-QSAR studies of Checkpoint Kinase Weel inhibitors based on molecular docking, CoMFA and CoMSIA 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2008, 卷号: 43, 期号: 5, 页码: 925-938
作者:  Yi, Ping;  Fang, Xin;  Qiu, Minghua
Adobe PDF(2704Kb)  |  收藏  |  浏览/下载：482/135  |  提交时间：2011/11/24
3d-qsar  Gold  Comfa  Comsia  Checkpoint Kinase Weel  
3D-QSAR and docking studies of aminopyridine carboxamide inhibitors of c-Jun N-terminal kinase-1 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2008, 卷号: 43, 期号: 3, 页码: 604-613
作者:  Yi, Ping;  Qiu, Minghua
Adobe PDF(2801Kb)  |  收藏  |  浏览/下载：425/179  |  提交时间：2011/11/24
3d-qsar  Gold  Comfa  C-jun N-terminal Kinase-1