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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
福建物质结构研究所 [12]
长春应用化学研究所 [9]
上海药物研究所 [7]
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期刊论文 [56]
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Profiling metabolites and exploring metabolism of parabens in human urine using non-target screening and molecular networking
期刊论文
OAI收割
JOURNAL OF HAZARDOUS MATERIALS, 2024, 卷号: 480, 页码: 10
作者:
Yang, Tao
;
Li, Xinling
;
Tan, Jianhua
;
Liang, Wenyao
;
Kuang, Hongxuan
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2025/04/01
Parabens
Non-target screening
Molecular network
Metabolic pathway
Human urine
Elucidating the protective mechanism of ganoderic acid DM on breast cancer based on network pharmacology and in vitro experimental validation
期刊论文
OAI收割
BIOTECHNOLOGY AND APPLIED BIOCHEMISTRY, 2024
作者:
Swallah, Mohammed Sharif
;
Bondzie-Quaye, Precious
;
Yu, Xin
;
Fetisoa, Monia Ravelonandrasana
;
Shao, Chang-Sheng
  |  
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2024/11/20
alternative drugs
breast cancer
ganoderic acids
Ganoderma lucidum
molecular docking
network pharmacology
Deformation Mechanisms Dominated by Decomposition of an Interfacial Misfit Dislocation Network in Ni/Ni
3
Al Multilayer Structures
期刊论文
OAI收割
MATERIALS, 2024, 卷号: 17, 期号: 16, 页码: 15
作者:
Zhang, Zhiwei
;
Zhang, Xingyi
;
Yang, Rong
;
Wang, Jun
;
Lu, Chunsheng
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2024/10/08
Ni/Ni3Al multilayer structures
interfacial misfit dislocation network
dislocation evolution
crystalline orientation effect
molecular dynamics
Mechanism of
Astragalus
mongholicus
Bunge ameliorating cerebral ischemia-reperfusion injury: Based on network pharmacology analysis and experimental verification
期刊论文
OAI收割
JOURNAL OF ETHNOPHARMACOLOGY, 2024, 卷号: 329
作者:
Li, Rui
;
Lou, Qi
;
Ji, Tingting
;
Li, Yincan
;
Yang, Haoran
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2024/11/20
Astragalus mongholicus Bunge
Network pharmacology
Cerebral ischemia-reperfusion injury
GEO database
Molecular docking
Vitamin D Relieves Epilepsy Symptoms and Neuroinflammation in Juvenile Mice by Activating the mTOR Signaling Pathway via RAF1: Insights from Network Pharmacology and Molecular Docking Studies
期刊论文
OAI收割
NEUROCHEMICAL RESEARCH, 2024, 页码: 14
作者:
Lu, Tiantian
;
Chen, Xiuling
;
Zhang, Qin
;
Shang, Kun
;
Yang, Xiaogui
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2024/10/21
Epilepsy
Neuroinflammation
Vitamin D
RAF1
mTOR signaling pathway
Network pharmacology
Molecular docking
Twin junctions with geometric compatibility and mobility in titanium and magnesium
期刊论文
OAI收割
SCRIPTA MATERIALIA, 2023, 卷号: 236, 页码: 6
作者:
Guo, Hui
;
Zhang, Jinhu
;
Li, Xuexiong
;
Xu, Dongsheng
;
Wang, Hao
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2024/01/08
Deformation twinning
HCP metals
Molecular dynamics
Coherency twin boundary
Twin network
LogD7.4 prediction enhanced by transferring knowledge from chromatographic retention time, microscopic pKa and logP
期刊论文
OAI收割
JOURNAL OF CHEMINFORMATICS, 2023, 卷号: 15, 期号: 1, 页码: 13
作者:
Wang, Yitian
;
Xiong, Jiacheng
;
Xiao, Fu
;
Zhang, Wei
;
Cheng, Kaiyang
  |  
收藏
  |  
浏览/下载:44/0
  |  
提交时间:2023/10/17
logD7.4
Lipid solubility
Graph neural network
Molecular property prediction
Elastic network models and molecular dynamic simulations reveal the molecular basis of allosteric regulation in ubiquitin-specific protease 7 (USP7)
期刊论文
OAI收割
COMPUTERS IN BIOLOGY AND MEDICINE, 2023, 卷号: 162, 页码: 10
作者:
Xu, Jing
;
Wang, Yiran
;
Zhang, Jiali
;
Abdelmoneim, Amr Abbas
;
Liang, Zhongjie
  |  
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2023/10/17
USP7
Allosteric regulation
Elastic network models
Molecular dynamics simulations
ETCM v2.0: An update with comprehensive resource and rich annotations for traditional Chinese medicine
期刊论文
OAI收割
ACTA PHARMACEUTICA SINICA B, 2023, 卷号: 13, 期号: 6, 页码: 2559-2571
作者:
Zhang, Yanqiong
;
Li, Xin
;
Shi, Yulong
;
Chen, Tong
;
Xu, Zhijian
  |  
收藏
  |  
浏览/下载:58/0
  |  
提交时间:2023/10/17
Traditional Chinese medicine
Database
Target identification
Network visualization
New drug research and development
Molecular mechanism
Quality marker
Drug repurposing
New eudesmanolides from Artemisia verlotorum and their potential targets of hepatocellular carcinoma by network pharmacology
期刊论文
OAI收割
FITOTERAPIA, 2023, 卷号: 167, 页码: 105491
作者:
Dong,Wei
;
Yang,Ke-Xin
;
He,Xiao-Feng
;
Li,Tian-Ze
;
Chen,Ji-Jun
  |  
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2024/07/25
Artemisia verlotorum
Eudesmanolides
Network pharmacology
Molecular docking
Surface Plasmon Resonance
AURORA KINASE
SESQUITERPENOIDS
AURKA
EXPRESSION