中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
上海药物研究所 [12]
自动化研究所 [3]
生态环境研究中心 [2]
植物研究所 [2]
昆明动物研究所 [2]
广州地球化学研究所 [1]
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OAI收割 [30]
内容类型
期刊论文 [27]
学位论文 [2]
会议论文 [1]
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2024 [4]
2023 [3]
2022 [1]
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2020 [2]
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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:13/0
  |  
提交时间:2025/04/01
Parabens
Non-target screening
Molecular network
Metabolic pathway
Human urine
In silico off-target profiling for enhanced drug safety assessment
期刊论文
OAI收割
ACTA PHARMACEUTICA SINICA B, 2024, 卷号: 14, 期号: 7, 页码: 2927-2941
作者:
Liu, Jin
;
Gui, Yike
;
Rao, Jingxin
;
Sun, Jingjing
;
Wang, Gang
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2024/08/22
Drug safety
Off-target prediction
Adverse drug reactions
Toxicity
Molecular representation
Artificial intelligence
Platanosides from Platanus x acerifolia: New molecules, SAR, and target validation of a strong lead for drug-resistant bacterial infections and the associated sepsis
期刊论文
OAI收割
BIOORGANIC CHEMISTRY, 2024, 卷号: 143, 页码: 9
作者:
Wu, Xi-Ying
;
Zhao, Ze-Yu
;
Osman, Ezzat E. A.
;
Wang, Xiao-Juan
;
Choo, Yeun-Mun
  |  
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2024/03/06
Platanus x acerifolia
Platanosides
Molecular ion networking (MoIN)
Antibacterial
Staphylococcus aureus
Enterococcus faecium
Structure -activity relationship (SAR)
Molecular docking
Target validation
Editorial: Advances in novel drugs and targets for hepatic and gastrointestinal diseases
期刊论文
OAI收割
FRONTIERS IN PHARMACOLOGY, 2024, 卷号: 15, 页码: 4
作者:
Ngowi, Ebenezeri Erasto
;
Gao, Yong
;
Yang, Xiaoying
;
Qiao, Aijun
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2024/02/27
novel drugs
target
liver diseases
gastrointestinal diseases
molecular mechanism
D3CARP: a comprehensive platform with multiple-conformation based docking, ligand similarity search and deep learning approaches for target prediction and virtual screening
期刊论文
OAI收割
COMPUTERS IN BIOLOGY AND MEDICINE, 2023, 卷号: 164, 页码: 8
作者:
Shi, Yulong
;
Zhang, Xinben
;
Yang, Yanqing
;
Cai, Tingting
;
Peng, Cheng
  |  
收藏
  |  
浏览/下载:39/0
  |  
提交时间:2023/10/17
Target prediction
Virtual screening
Molecular docking
Ligand similarity search
Deep learning
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
Molecular dynamics study on the behavior and binding mechanism of target protein Transgelin-2 with its agonist TSG12 for anti-asthma drug discovery
期刊论文
OAI收割
COMPUTERS IN BIOLOGY AND MEDICINE, 2023, 卷号: 153, 页码: 7
作者:
Wu, Leyun
;
Wang, Guangpu
;
Zhou, Liping
;
Mo, Mengxia
;
Shi, Yulong
  |  
收藏
  |  
浏览/下载:44/0
  |  
提交时间:2023/04/10
Pharmaceutical sciences
Molecular dynamics simulation
Free energy calculation
Asthma
Target protein
Transgelin-2
Agonist
A novel co-targeting strategy of EGFR/SEC61G for multi-modality fluorescence/MR/photoacoustic imaging of glioblastoma
期刊论文
OAI收割
NANOMEDICINE-NANOTECHNOLOGY BIOLOGY AND MEDICINE, 2022, 卷号: 40, 页码: 11
作者:
Huang, Qi
;
Wang, Kun
;
Wanggou, Siyi
;
Tian, Jie
;
Li, Xuejun
  |  
收藏
  |  
浏览/下载:42/0
  |  
提交时间:2022/07/25
Glioblastoma
Multi-modality
Molecular imaging
Dual-target
Theranostic
Adverse events associated with nilotinib in chronic myeloid leukemia: mechanisms and management strategies
期刊论文
OAI收割
EXPERT REVIEW OF CLINICAL PHARMACOLOGY, 2021
作者:
Wang, Zeng
;
Jiang, Liyu
;
Yan, Hao
;
Xu, Zhifei
;
Luo, Peihua
  |  
收藏
  |  
浏览/下载:51/0
  |  
提交时间:2021/04/26
Adverse events
chronic myeloid leukemia
management
mechanisms
molecular target
nilotinib
Discovery of pseudolaric acid A as a new Hsp90 inhibitor uncovers its potential anticancer mechanism
期刊论文
OAI收割
BIOORGANIC CHEMISTRY, 2021, 卷号: 112, 页码: 104963
作者:
Liu,Jiangxin
;
Wu,Xing-De
;
Li,Wenyan
;
Yuan,Zaifeng
;
Yang,Kun
  |  
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2022/04/02
Pseudolaric acid A
Hsp90 inhibitor
Apoptosis
NMR
Structure-activity relationship
Photoaffinity-based probe
Protein-ligand interaction
MOLECULAR CHAPERONE
PROTEIN
TARGET
CANCER
KINASE
NMR
IDENTIFICATION
SELECTIVITY
BINDING
DESIGN