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科研机构
北京大学 [4]
湖南大学 [2]
大连理工大学 [1]
上海药物研究所 [1]
湖南中医药大学 [1]
中南林业科技大学 [1]
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期刊论文 [11]
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2019 [1]
2018 [2]
2017 [1]
2016 [2]
2013 [1]
2012 [2]
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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
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
Design, synthesis and in-vitro evaluation of novel tetrahydroquinoline carbamates as HIV-1 RT inhibitor and their antifungal activity
期刊论文
BIOORGANIC CHEMISTRY, 2016, 卷号: 64, 期号: X, 页码: 66-73
作者:
Chander S
;
Ashok P
;
Taneja A
;
Murugesan S[*]
;
Zheng YT
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2016/01/04
Antifungal
Antiretroviral
Cytotoxicity
Docking
Drug-likeness
Reverse transcriptase
Tetrahydroquinoline
Drug-likeness analysis of traditional Chinese medicines: 2. Characterization of scaffold architectures for drug-like compounds, non-drug-like compounds, and natural compounds from traditional Chinese medicines
期刊论文
journal of cheminformatics, 2013
Tian, Sheng
;
Li, Youyong
;
Wang, Junmei
;
Xu, Xiaojie
;
Xu, Lei
;
Wang, Xiaohong
;
Chen, Lei
;
Hou, Tingjun
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/11
Scaffold
Drug-likeness
Traditional Chinese medicines
Murcko frameworks
Scaffold tree
Tree maps
CHEMICAL SPACE
STRUCTURE DATABASE
LIPID PEROXIDE
PRODUCTS
LIBRARIES
CLASSIFICATION
VISUALIZATION
EXPLORATION
ABSORPTION
DIVERSITY
Drug-likeness analysis of traditional Chinese medicines: 1. property distributions of drug-like compounds, non-drug-like compounds and natural compounds from traditional Chinese medicines
期刊论文
journal of cheminformatics, 2012
Shen, Mingyun
;
Tian, Sheng
;
Li, Youyong
;
Li, Qian
;
Xu, Xiaojie
;
Wang, Junmei
;
Hou, Tingjun
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/11/12
Drug-likeness
Traditional Chinese medicines
Principal component analysis (PCA)
Property distribution
Molecular properties
ADME EVALUATION
AQUEOUS SOLUBILITY
STRUCTURE DATABASE
DISCOVERY
PREDICTION
CLASSIFICATION
ABSORPTION
CHEMISTRY
PRODUCTS
NONDRUGS
Drug-likeness Analysis of Traditional Chinese Medicines: Prediction of Drug-likeness Using Machine Learning Approaches
期刊论文
molecular pharmaceutics, 2012
Tian, Sheng
;
Wang, Junmei
;
Li, Youyong
;
Xu, Xiaojie
;
Hou, Tingjun
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/11/12
drug-likeness
traditional Chinese medicine (TCM)
naive Bayesian classification
recursive partitioning
machine learning
K-ATP CHANNELS
STRUCTURE DATABASE
Y-26763 PROTECTS
NATURAL-PRODUCTS
METAL-COMPLEXES
ADME EVALUATION
CLASSIFICATION
DISCOVERY
INHIBITORS
LIBRARIES
An integrated drug-likeness study for bicyclic privileged structures: from physicochemical properties to in vitro ADME properties
期刊论文
MOLECULAR DIVERSITY, 2011, 卷号: 15, 期号: 4, 页码: 857-876
作者:
Han, Chunyan
;
Zhang, Jinlan
;
Zheng, Mingyue
;
Xiao, Yao
;
Li, Yan
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/01/08
Physicochemical properties
Pharmacokinetic properties
Privileged structure
Drug-likeness
ADME
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