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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
Authors:  Zhou, Yeheng;  Peng, Jiale;  Li, Penghua;  Du, Haibo;  Li, Yaping;  Li, Yingying;  Zhang, Li;  Sun, Wei;  Liu, Xingyong;  Zuo, Zhili
Favorite  |  View/Download:50/0  |  Submit date: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
Authors:  Zhou, Ling-Yun;  Peng, Jia-Le;  Wang, Jun-Ming;  Geng, Yuan-Yuan;  Zuo, Zhi-Li;  Hua, Yan
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Xanthone  Xanthine Oxidase Inhibitors  3d-qsar  Gout  
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
Authors:  Li, Penghua;  Peng, Jiale;  Zhou, Yeheng;  Li, Yaping;  Liu, XingYong;  Wang, LiangLiang;  Zuo, ZhiLi
View  |  Adobe PDF(2006Kb)  |  Favorite  |  View/Download:127/11  |  Submit date:2018/12/27
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
Authors:  Zhang, Wen;  Qiu, Kai-Xiong;  Yu, Fang;  Xie, Xiao-Guang;  Zhang, Shu-Qun;  Chen, Ya-Juan;  Xie, Hui-Ding
View  |  Adobe PDF(371Kb)  |  Favorite  |  View/Download:53/2  |  Submit date: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
Authors:  Zhang, Shuqun;  Lin, Zichun;  Pu, Yinglan;  Zhang, Yunqin;  Zhang, Li;  Zuo, Zhili
View  |  Adobe PDF(1591Kb)  |  Favorite  |  View/Download:198/27  |  Submit date: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
Authors:  Zhang, Shuqun;  Hou, Bo;  Yang, Huaiyu;  Zuo, Zhili
View  |  Adobe PDF(1125Kb)  |  Favorite  |  View/Download:136/48  |  Submit date: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
Authors:  He, Gu;  Qiu, Minghua;  Li, Rui;  Ouyang, Liang;  Wu, Fengbo;  Song, Xiangrong;  Cheng, Li;  Xiang, Mingli;  Yu, Luoting
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3d-qsar  Aurora-a  Kinase Inhibitors  Multicomplex-based Pharmacophore(Mcbp)  Pharmacophore  
抗肿瘤环肽构效关系和三种植物化学成分研究   学位论文
, 北京: 中国科学院研究生院, 2011
闫合
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环肽  茜草科类型环肽  石竹科类型环肽  柑橘  鸡冠花  刺果苏木  化学成分  构效关系  
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.
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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 on ketoamides of human cathepsin K inhibitors based on two different alignment methods 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2010, 卷号: 45, 期号: 2, 页码: 667-681
Authors:  Pan, Xulin;  Tan, Ninghua;  Zeng, Guangzhi;  Huang, Huoqiang;  Yan, He
Adobe PDF(2690Kb)  |  Favorite  |  View/Download:333/133  |  Submit date:2012/03/21
Cathepsin k  Comfa  Comsia  Ketoamides