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上海药物研究所 [6]
北京大学 [3]
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大连化学物理研究所 [1]
复旦大学上海医学院 [1]
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期刊论文 [14]
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浏览/检索结果:
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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
Combining an in silico approach with an animal experiment to investigate the protective effect of troxerutin for treating acute lung injury
期刊论文
BMC COMPLEMENTARY AND ALTERNATIVE MEDICINE, 2019, 卷号: 19, 页码: 11
作者:
Li, Ying
;
Ma, Pan
;
Fu, Jin
;
Wu, Jingjing
;
Wu, Xue
收藏
  |  
浏览/下载:58/0
  |  
提交时间:2019/12/02
Troxerutin
In silico prediction
Acute lung injury
Protective effect
Inflammatory response
In Silico Design of Human IMPDH Inhibitors Using Pharmacophore Mapping and Molecular Docking Approaches
期刊论文
2015, 卷号: 2015, 页码: 418767
作者:
Li, Rui-Juan
;
Wang, Ya-Li
;
Wang, Qing-He
;
Wang, Jian
;
Cheng, Mao-Sheng
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2020/01/13
iDrug: a web-accessible and interactive drug discovery and design platform
期刊论文
JOURNAL OF CHEMINFORMATICS, 2014, 卷号: 6
作者:
Wang, Xia
;
Chen, Haipeng
;
Yang, Feng
;
Gong, Jiayu
;
Li, Shiliang
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2019/04/09
Online Drug Design Platform
Cavity Detection
Pharmacophore Search
3d Similarity Calculation
Target Prediction
iDrug: a web-accessible and interactive drug discovery and design platform
期刊论文
journal of cheminformatics, 2014
Wang, Xia
;
Chen, Haipeng
;
Yang, Feng
;
Gong, Jiayu
;
Li, Shiliang
;
Pei, Jianfeng
;
Liu, Xiaofeng
;
Jiang, Hualiang
;
Lai, Luhua
;
Li, Honglin
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/11/11
Online drug design platform
Cavity detection
Pharmacophore search
3D similarity calculation
Target prediction
BREAST-CANCER
TARGET IDENTIFICATION
CONFORMATIONAL GENERATION
BINDING AFFINITIES
HYBRID APPROACH
TAMOXIFEN
DATABASE
INHIBITORS
SERVER
SIMILARITY
Selective ligands of estrogen receptor beta discovered using pharmacophore mapping and structure-based virtual screening
期刊论文
ACTA PHARMACOLOGICA SINICA, 2014, 卷号: 35, 期号: 10
作者:
Chen, Lei
;
Wu, Dang
;
Bian, Han-ping
;
Kuang, Guang-lin
;
Jiang, Jing
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/19
estrogen receptor
subtype-selective ligand
estradiol
tamoxifen
pharmacophore mapping
structure-based virtual screening
breast cancer
anti-proliferation
cell cycle arrest
Modeling Compound-Target Interaction Network of Traditional Chinese Medicines for Type II Diabetes Mellitus: Insight for Polypharmacology and Drug Design
期刊论文
journal of chemical information and modeling, 2013
Tian, Sheng
;
Li, Youyong
;
Li, Dan
;
Xu, Xiaojie
;
Wang, Junmei
;
Zhang, Qian
;
Hou, Tingjun
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/11
GLYCATION END-PRODUCTS
ALDOSE REDUCTASE
NATURAL-PRODUCTS
INHIBITORY-ACTIVITY
PHENOLIC-COMPOUNDS
LIPID PEROXIDE
HUMAN-DISEASE
RISK-FACTORS
DISCOVERY
GLYCOSIDES
Computational drug discovery
期刊论文
ACTA PHARMACOLOGICA SINICA, 2012, 卷号: 33, 期号: 9, 页码: 1131-1140
作者:
Ou-Yang, Si-sheng
;
Lu, Jun-yan
;
Kong, Xiang-qian
;
Liang, Zhong-jie
;
Luo, Cheng
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/01/08
computational drug discovery
target identification
lead discovery
Synthesis, Structure-Activity Relationship, and Pharmacophore Modeling Studies of Pyrazole-3-Carbohydrazone Derivatives as Dipeptidyl Peptidase IV Inhibitors
期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2012, 卷号: 79, 期号: 6, 页码: 897-906
作者:
Wu, Deyan
;
Jin, Fangfang
;
Lu, Weiqiang
;
Zhu, Jin
;
Li, Cui
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/01/08
dipeptidyl peptidase IV
inhibitors
molecular docking
pharmacophore modeling
synthesis
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