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上海药物研究所 [10]
北京大学 [6]
昆明动物研究所 [4]
大连化学物理研究所 [3]
湖南大学 [2]
厦门大学 [1]
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期刊论文 [28]
学位论文 [1]
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2020 [2]
2019 [1]
2018 [2]
2017 [4]
2016 [3]
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物理化学 [1]
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Active constituents and mechanisms of Respiratory Detox Shot, a traditional Chinese medicine prescription, for COVID-19 control and prevention: Network -molecular docking-LC-MSE analysis
期刊论文
JOURNAL OF INTEGRATIVE MEDICINE-JIM, 2020, 卷号: 18, 期号: 3, 页码: 229-241
作者:
Zhang, Zi-jia
;
Wu, Wen-yong
;
Hou, Jin-jun
;
Zhang, Lin-lin
;
Li, Fei-fei
收藏
  |  
浏览/下载:49/0
  |  
提交时间:2020/07/01
Lung-toxin Dispelling Formula No. 1
COVID-19
3C-like protease
Network pharmacology
Molecular docking
Meridian tropism
Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 1, 页码: 226-234
作者:
Kamsri, Pharit
;
Hanwarinroj, Chayanin
;
Phusi, Naruedon
;
Pornprom, Thimpika
;
Chayajarus, Kampanart
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  |  
浏览/下载:23/0
  |  
提交时间:2020/07/01
Synthesis, molecular properties prediction and biological evaluation of indole-vinyl sulfone derivatives as novel tubulin polymerization inhibitors targeting the colchicine binding site
期刊论文
Bioorganic Chemistry, 2019, 卷号: Vol.85, 页码: 49-59
作者:
Wenlong Li
;
Honghao Sun
;
Feijie Xu
;
Wen Shuai
;
Jie Liu
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2019/12/13
Tubulin
inhibitor
Vinyl
sulfone
Indole
Colchicine
site
Drug-likeness
Synthesis, Molecular Properties Prediction and Biological Evaluation of Indole-Vinyl Sulfone Derivatives as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site
期刊论文
Bioorganic Chemistry, 2018
作者:
Wenlong Li
;
Honghao Sun
;
Feijie Xu
;
Wen Shuai
;
Jie Liu
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/26
Tubulin
inhibitor
Vinyl
sulfone
Indole
Colchicine
site
Drug-likeness
ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database
期刊论文
Journal of Cheminformatics, 2018, 卷号: 10, 期号: 1, 页码: 29
作者:
Dong, Jie
;
Wang, Ning-Ning
;
Yao, Zhi-Jiang
;
Zhang, Lin
;
Cheng, Yan
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/12/28
ADMET
ADMET database
ADMETlab
Cheminformatics
Drug discovery
Drug-likeness
Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2
期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2017, 卷号: 60, 期号: 24, 页码: 10231-10244
作者:
Liu, Qiufeng
;
Huang, Fubao
;
Yuan, Xiaojing
;
Wang, Kai
;
Zou, Yi
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2019/01/08
Machine-Learning-Assisted Approach for Discovering Novel Inhibitors Targeting Bromodomain-Containing Protein 4
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2017, 卷号: 57, 期号: 7, 页码: 1677-1690
作者:
Xing, Jing
;
Lu, Wenchao
;
Liu, Rongfeng
;
Wang, Yulan
;
Xie, Yiqian
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  |  
浏览/下载:23/0
  |  
提交时间:2019/01/08
Design, synthesis and anti-HIV-1 RT evaluation of 2-(benzyl(4-chlorophenyl)amino)-1-(piperazin-1-yl)ethanone derivatives
期刊论文
Bioorganic & Medicinal Chemistry Letters, 2017, 卷号: 27, 期号: 1, 页码: 61-65
作者:
Chander S
;
Pang W
;
Sankaranarayanan M[*]
;
Ashok P
;
Yang LM
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2016/12/01
Enzymatic assay
Wild strain
Reverse transcriptase
Docking
Cytotoxicity
Exploring the pharmacological mechanism of Yanghe Decoction on HER2-positive breast cancer by a network pharmacology approach
期刊论文
Journal of Ethnopharmacology, 2017, 卷号: 199, 页码: 68-85
作者:
Zeng, Luting*
;
Yang, Kailin
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/27
ER
estrogen receptor
PGR
progesterone receptor
HER
human epidermal growth factor receptor
CAM
complementary and alternative medicine
TCM
traditional Chinese medicine
YHD
Yanghe Decoction
OB
oral bioavailability
DL
drug-likeness
PPI
protein-protein interaction
GO
Gene Ontology
IGFR
insulin-like growth factor receptor
HB-EGF
heparin-binding growth factor
EGFR
epidermal growth factor receptor
PRE
progesterone response element
TGF
transforming growth factor
HDAC
histone deacetylase
CDK
cyclin dependent kinases
EMT
epithelial-mesenchymal transition
IGFBP
IGF-binding protein
FGFR
fibroblast growth factor receptor
Yanghe Decoction
HER2-positive breast cancer
Network pharmacology
Traditional Chinese medicine
Chinese medicine formulae
Drug-symptom networking: Linking drug-likeness screening to drug discovery
期刊论文
PHARMACOLOGICAL RESEARCH, 2016, 卷号: 103, 页码: 105-113
作者:
Xu Xue
;
Zhang Chao
;
Li PiDong
;
Zhang FeiLong
;
Gao Kuo
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/09
Drug-symptom relationship
Drug-likeness
SVDD classification
Text mining
Herbal molecule
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