中文版 | English

在结果中检索

KIB OpenIR

浏览/检索结果: 共9条，第1-9条 帮助

已选(0)清除 条数/页：   排序方式：
Discovery of potentially biased agonists of mu-opioid receptor (MOR) through molecular docking, pharmacophore modeling, and MD simulation 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2021, 卷号: 90, 页码: 107405
作者:  Jiang,Xuan;  Li,Shuxiang;  Zhang,Hongbin;  Wang,Liang-Liang
浏览  |  Adobe PDF(6441Kb)  |  收藏  |  浏览/下载：189/26  |  提交时间：2022/04/02
mu-Opioid receptors (MOR)  Biased ligands  Molecular docking  Hip-hop pharmacophore  MD simulation  
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：313/33  |  提交时间：2019/07/29
Pharmacophore modeling  Molecular docking  Quantitative structure activity relationship (QSAR)  Molecular dynamics  AMPK  Activator  
Three new compounds with nitric oxide inhibitory activity from Tirpitzia sinensis, an ethnomedicinal plant from Southwest China 期刊论文
BMC CHEMISTRY, 2019, 卷号: 13, 页码: 12
作者:  Gu, Ronghui;  Wang, Yuehu;  Wu, Shibiao;  Wang, Yeling;  Li, Ping;  Xu, Li;  Zhou, Yue;  Chen, Ze'e;  Kennelly, Edward J.;  Long, Chunlin
浏览  |  Adobe PDF(1972Kb)  |  收藏  |  浏览/下载：209/32  |  提交时间：2019/07/29
Tirpitzia sinensis  Linaceae  Lignans  Inflammatory  NO inhibition  Pharmacological targets  Pharmacophore  In silico  
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：318/51  |  提交时间：2019/03/25
IDO1  Molecular docking  HipHop pharmacophore  3D-QSAR  PAINS  
Pharmacophore modeling, molecular docking and molecular dynamics simulations toward identifying lead compounds for Chk1 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2018, 卷号: 76, 页码: 53-60
作者:  Li, Yaping;  Peng, Jiale;  Zhou, Yeheng;  Li, Penghua;  Li, Yingying;  Liu, Xingyong;  Siddique, Abu Nasar;  Zhang, Li;  Zuo, Zhili
收藏  |  浏览/下载：193/0  |  提交时间：2018/11/12
Checkpoint kinase 1 inhibitor  Virtual screening  Pharmacophore modeling  Molecular docking  Molecular dynamics simulations  
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
作者:  Li, Yaping;  Pu, Yinglan;  Liu, Hui;  Zhang, Li;  Liu, Xingyong;  Li, Yan;  Zuo, Zhili
收藏  |  浏览/下载：453/0  |  提交时间：2018/11/06
Wee1 inhibitors  Pharmacophore model  Molecular docking  Virtual screening  Molecular dynamics simulation  
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：194/40  |  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：340/103  |  提交时间：2012/06/07
3d-qsar  Aurora-a  Kinase Inhibitors  Multicomplex-based Pharmacophore(Mcbp)  Pharmacophore  
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：394/127  |  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