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The novel benzimidazole derivative BRP-7 inhibits leukotriene biosynthesis in vitro and in vivo by targeting 5-lipoxygenase-activating protein (FLAP)1 期刊论文
出版物, 3111, 期号: 0, 页码: 1-42
Authors:  C Pergola;  J Gerstmeier;  B Monch;  B Çaliskan;  S Luderer;  C Weinige;  D Barz;  J Maczewsky;  S Pace;  A Rossi;  L Sautebin;  E Banoglu;  O Werz
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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
Authors:  Li, Yingying;  Peng, Jiale;  Li, Penghua;  Du, Haibo;  Li, Yaping;  Liu, Xingyong;  Zhang, Li;  Wang, Liang-Liang;  Zuo, Zhili
Favorite  |  View/Download：27/0  |  Submit date：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
Authors:  Zhou, Yeheng;  Peng, Jiale;  Li, Penghua;  Du, Haibo;  Li, Yaping;  Li, Yingying;  Zhang, Li;  Sun, Wei;  Liu, Xingyong;  Zuo, Zhili
Favorite  |  View/Download：43/0  |  Submit date：2019/03/25
IDO1  Molecular docking  HipHop pharmacophore  3D-QSAR  PAINS  
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
Authors:  Li, Yaping;  Pu, Yinglan;  Liu, Hui;  Zhang, Li;  Liu, Xingyong;  Li, Yan;  Zuo, Zhili
Favorite  |  View/Download：320/0  |  Submit date：2018/11/06
Wee1 inhibitors  Pharmacophore model  Molecular docking  Virtual screening  Molecular dynamics simulation  
12th全国天然有机化学学术会议摘要集 会议录
Editors:  中国化学会
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Research Progress of Polycyclic Polyprenylated Acylphloroglucinols 期刊论文
CHEMICAL REVIEWS, 2018, 卷号: 118, 期号: 7, 页码: 3508-3558
Authors:  Yang, Xing-Wei;  Grossman, Robert B.;  Xu, Gang
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Isolation, Characterization, and Structure-Activity Relationship Analysis of Abietane Diterpenoids from Callicarpa bodinieri as Spleen Tyrosine Kinase Inhibitors 期刊论文
JOURNAL OF NATURAL PRODUCTS, 2018, 卷号: 81, 期号: 4, 页码: 998-1006
Authors:  Gao, Jun-Bo;  Yang, Shuang-Jing;  Yan, Zi-Ru;  Zhang, Xing-Jie;  Pu, De-Bing;  Wang, Li-Xia;  Li, Xiao-Li;  Zhang, Rui-Han;  Xiao, Wei-Lie
Favorite  |  View/Download：143/0  |  Submit date：2018/07/16
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
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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：51/2  |  Submit date：2017/12/11
B-raf Kinase Inhibitors  Virtual Screening  Pharmacophore  Molecular Docking  3d Qsar  Binding Free Energy Calculation  
三种天然产物的结构修饰与生物活性研究 学位论文
: 中国科学院大学, 2017
Authors:  任健
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