KIB OpenIR

Browse/Search Results:  1-10 of 49 Help

Selected(0)Clear Items/Page:    Sort:
Identification of Novel TRPC5 Inhibitors by Pharmacophore-Based and Structure-Based Approaches 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2020
Authors:  Li, Shuxiang;  Zhang, Shuqun;  Chen, Dingyuan;  Jiang, Xuan;  Liu, Bin;  Zhang, Hongbin;  Rachakunta, Munikishore;  Zuo, Zhili
View  |  Adobe PDF(4261Kb)  |  Favorite  |  View/Download:30/6  |  Submit date:2021/01/05
Computational simulation studies on the binding selectivity of Wee1 and Checkpoint kinase 1 by molecular dynamics simulation combined with free energy calculations 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2020
Authors:  Li, Yaping;  Liu, Xingyong;  Zhang, Shuqun;  Wang, Liangliang;  Zhang, Li;  Zuo, Zhili
View  |  Adobe PDF(2066Kb)  |  Favorite  |  View/Download:13/1  |  Submit date:2021/01/05
Microbial transformation of diosgenin to diosgenone by Wickerhamomyces anomalus JQ-1 obtained from Naxi traditional Jiu Qu 期刊论文
BIOORGANIC CHEMISTRY, 2020
Authors:  Li, Liangqun;  Zhao, Yanqiang;  Lang, Bayi;  Xie, Yuying;  Meng, Manfred Shaowu;  He, Yun;  Yang, Lixin;  Liu, Aizhong
View  |  Adobe PDF(2142Kb)  |  Favorite  |  View/Download:6/1  |  Submit date:2021/01/05
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
Authors:  Pan, Chenling;  Meng, Hao;  Zhang, Shuqun;  Zuo, Zhili;  Shen, Yuehai;  Wang, Liangliang;  Chang, Kwen-Jen
View  |  Adobe PDF(1542Kb)  |  Favorite  |  View/Download:41/12  |  Submit date:2020/03/18
delta opioid receptor agonists  3D-QSAR  Homology modeling  Molecular dynamics simulation  Molecular docking  
Hepatoprotective steroids from roots of Cynanchum otophyllum 期刊论文
FITOTERAPIA, 2019, 卷号: 136, 页码: 7
Authors:  Dong, Jinrun;  Peng, Xingrong;  Lu, Shuangyang;  Zhou, Lin;  Qiu, Minghua
View  |  Adobe PDF(466Kb)  |  Favorite  |  View/Download:48/2  |  Submit date:2019/08/19
Cynanchum otophyllum  Asclepiadaceae  Steriods  Anti-liver fibrosis activity  
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
Authors:  Wang, Dong;  Li, Zhaoyang;  Liu, Yi;  Chen, Mo;  Chen, Nianhang;  Zuo, Zhili;  Kong, De-Xin
View  |  Adobe PDF(1462Kb)  |  Favorite  |  View/Download:50/6  |  Submit date: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
Authors:  Li, Yingying;  Peng, Jiale;  Li, Penghua;  Du, Haibo;  Li, Yaping;  Liu, Xingyong;  Zhang, Li;  Wang, Liang-Liang;  Zuo, Zhili
View  |  Adobe PDF(7335Kb)  |  Favorite  |  View/Download:80/7  |  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
View  |  Adobe PDF(2732Kb)  |  Favorite  |  View/Download:86/7  |  Submit date:2019/03/25
IDO1  Molecular docking  HipHop pharmacophore  3D-QSAR  PAINS  
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
Adobe PDF(123481Kb)  |  Favorite  |  View/Download:88/7  |  Submit date:2018/10/24
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:156/21  |  Submit date:2018/12/27