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上海药物研究所 [11]
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期刊论文 [27]
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Integrated Transcriptomics and Reverse Pharmacophore Mapping-based Network Pharmacology to Explore the Mechanisms of Natural Compounds against Doxorubicin-induced Cardiotoxicity
期刊论文
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, 2022, 卷号: 25
作者:
Zhu, Junfeng
;
Yi, Xiaojiao
;
Ding, Haiying
;
Zhong, Like
;
Fang, Luo
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2022/12/22
Doxorubicin-induced cardiotoxicity
natural compounds
mechanism of action
gene expression profile
bioinformatics
network pharmacology
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
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  |  
浏览/下载:57/0
  |  
提交时间:2019/03/25
IDO1
Molecular docking
HipHop pharmacophore
3D-QSAR
PAINS
Evaluation of the combination mode and features of p38 MAPK inhibitors: construction of different pharmacophore models and molecular docking
期刊论文
MOLECULAR SIMULATION, 2019, 卷号: 45, 期号: 12, 页码: 975-984
作者:
Sun, Bin
;
Zhang, Hong
;
Dong, Yue
;
Zhao, Liyu
;
Han, Jun
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/12/11
p38 MAPK inhibitors
targeting kinase
pharmacophore model
molecular
docking
Discovery of new potent protein arginine methyltransferase 5 (PRMT5) inhibitors by assembly of key pharmacophores from known inhibitors
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2018, 卷号: 28, 期号: 23-24, 页码: 3693-3699
作者:
Zhu, Kongkai
;
Song, Jia-Li
;
Tao, Hong-Rui
;
Cheng, Zhi-Qiang
;
Jiang, Cheng-Shi
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  |  
浏览/下载:100/0
  |  
提交时间:2019/01/08
Pharmacophore combination
Isoquinoline
PRMT5 inhibitor
Molecular docking
Molecular dynamics simulation
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
作者:
Li, Penghua
;
Peng, Jiale
;
Zhou, Yeheng
;
Li, Yaping
;
Liu, XingYong
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  |  
浏览/下载:29/0
  |  
提交时间: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
作者:
Zhang, Wen
;
Qiu, Kai-Xiong
;
Yu, Fang
;
Xie, Xiao-Guang
;
Zhang, Shu-Qun
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2017/12/11
B-raf Kinase Inhibitors
Virtual Screening
Pharmacophore
Molecular Docking
3d Qsar
Binding Free Energy Calculation
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
作者:
Zhang, Wen
;
Qiu, Kai-Xiong
;
Yu, Fang
;
Xie, Xiao-Guang
;
Zhang, Shu-Qun
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/04
B-Raf kinase inhibitors
Virtual screening
Pharmacophore
Molecular docking
3D QSAR
Binding free energy calculation
Designing multi-targeted agents: An emerging anticancer drug discovery paradigm
期刊论文
European Journal of Medicinal Chemistry, 2017, 卷号: 136, 页码: 195-211
作者:
Fu, Rong-geng*
;
Sun, Yuan
;
Sheng, Wen-bing
;
Liao, Duan-fang*
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/27
Multi-targeted agents
Anticancer therapy
Multi-pharmacophore modes
Pharmacophore combination
Drug design
Exploration of Modern Fixed Dose Combinatorial Medicine Based on Classical Compatibility of Traditional Chinese Medicine
期刊论文
Modernization of Traditional Chinese Medicine and Materia Medica--World Science and Technology, 2017, 卷号: 19, 期号: 11, 页码: 1765-1767
作者:
Huang Chenggang
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  |  
浏览/下载:17/0
  |  
提交时间:2019/01/08
Compatibility of traditional Chinese medicine
Chinese medicine compound
pharmacophore basis
research and development of innovative drugs
Identification of Novel Bace1 Inhibitors by Combination of Pharmacophore Modeling, Structure-Based Design and In Vitro Assay.
期刊论文
Curr Comput Aided Drug Des., 2016, 卷号: Vol.12 No.1, 页码: 73-82
作者:
Yuan Ju, Zicheng Li, Yong Deng, Aiping Tong, Liangxue Zhou and Youfu Luo.
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/03/26
BACE1
inhibitor
pharmacophore
docking
in
vitro
screening
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