中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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上海药物研究所 [37]
大连化学物理研究所 [24]
长春光学精密机械与... [17]
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Discovery of hematopoietic progenitor kinase 1 inhibitors using machine learning-based screening and free energy perturbation
期刊论文
OAI收割
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2024, 页码: 13
作者:
Feng, Dazhi
;
Liu, Bo
;
Chen, Zhiwei
;
Xu, Jinyi
;
Geng, Meiyu
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2024/02/27
HPK1 inhibitor
machine learning
virtual screening
free energy perturbation
structural modification
The anticancer potential of chemical constituents of Moringa oleifera targeting CDK-2 inhibition in estrogen receptor positive breast cancer using in-silico and in vitro approches
期刊论文
OAI收割
BMC COMPLEMENTARY MEDICINE AND THERAPIES, 2023, 卷号: 23, 期号: 1, 页码: 17
作者:
Sultan, Rida
;
Ahmed, Abrar
;
Wei, Li
;
Saeed, Hamid
;
Islam, Muhammad
  |  
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2023/12/19
CDK2
ER+ Breast cancer
Molecular Docking
MM-GBSA
Molecular Dynamic Simulations
MTT assay
Moringa oleifera
Phytoconstituents
Chlorogenic acid
Pharmacokinetics, Mass Balance, Tissue Distribution, and Metabolism of [
3
H]Catalpol in Rats: the Main Bioactive Component of
Rehmannia glutinosa
for the Treatment of Ischemic Stroke
期刊论文
OAI收割
CURRENT DRUG METABOLISM, 2023, 页码: 10
作者:
Ge, Xinyu
;
Zheng, Yuandong
;
He, Yifei
;
Chen, Chong
;
Yang, Chen
  |  
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2023/12/08
[H-3]catalpol
Rehmannia glutinosa
mass balance
tissue distribution
metabolism
intestinal flora
ischemic stroke.
Toxicokinetics and toxicodynamics of plastic and metallic nanoparticles: A comparative study in shrimp
期刊论文
OAI收割
ENVIRONMENTAL POLLUTION, 2022, 卷号: 312, 页码: 12
作者:
Zhu, Xiaopeng
;
Teng, Jia
;
Xu, Elvis Genbo
;
Zhao, Jianmin
;
Shan, Encui
  |  
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2022/11/07
Nanoplastics
Titanium dioxide nanoparticle
Litopenaeus vannamei
Bioaccumulation
Toxic effect
Intestinal microbiota
Advances and challenges in ginseng research from 2011 to 2020: the phytochemistry, quality control, metabolism, and biosynthesis
期刊论文
OAI收割
NATURAL PRODUCT REPORTS, 2022, 页码: 35
作者:
Li, Xue
;
Liu, Jie
;
Zuo, Tian-tian
;
Hu, Ying
;
Li, Zheng
  |  
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2022/06/15
1,2-Difunctionalized bicyclo[1.1.1]pentanes: Long-sought-after mimetics for ortho/ meta-substituted arenes
期刊论文
OAI收割
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2021, 卷号: 118, 期号: 28, 页码: 5
作者:
Zhao, Jin-Xin
;
Chang, Yu-Xuan
;
He, Chi
;
Burke, Benjamin J.
;
Collins, Michael R.
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2021/11/04
synthesis
medicinal chemistry
bioisosteres
Current trends in drug metabolism and pharmacokinetics
期刊论文
OAI收割
ACTA PHARMACEUTICA SINICA B, 2019, 卷号: 9, 期号: 6, 页码: 1113-1144
作者:
Li, Yuhua
;
Meng, Qiang
;
Yang, Mengbi
;
Liu, Dongyang
;
Hou, Xiangyu
  |  
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2020/07/01
Pharmacokinetics
Drug metabolism
Drug-drug interactions
Modeling
Metabolizing enzymes
Transporters
Nuclear receptors
Noncoding RNAs
currenttrendsindrugmetabolismandpharmacokinetics
期刊论文
OAI收割
actapharmaceuticasinicab, 2019, 卷号: 9, 期号: 6, 页码: 1113
作者:
Liu Dongyang
;
Hou Xiangyu
;
Tang Lan
;
Wang Xin
;
Lyu Yuanfeng
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2020/07/01
ARYL-HYDROCARBON RECEPTOR
BLOOD-BRAIN-BARRIER
ORGANIC ANION TRANSPORTERS
CHRONIC KIDNEY-DISEASE
PREGNANE-X-RECEPTOR
P-GLYCOPROTEIN
QUANTITATIVE PREDICTION
CYTOCHROME-P450 ENZYMES
DOWN-REGULATION
IN-VIVO
Pharmacokinetics
Drug metabolism
Drug-drug interactions
Modeling
Metabolizing enzymes
Transporters
Nuclear receptors
Noncoding RNAs
Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors
期刊论文
OAI收割
European journal of medicinal chemistry, 2018, 卷号: 163, 页码: 281-294
作者:
Xing, Jing
;
Zhang, Rukang
;
Jiang, Xiangrui
;
Hu, Tianwen
;
Wang, Xinjun
  |  
收藏
  |  
浏览/下载:85/0
  |  
提交时间:2019/01/08
Artificial intelligence in drug design
期刊论文
OAI收割
SCIENCE CHINA-LIFE SCIENCES, 2018, 卷号: 61, 期号: 10, 页码: 1191-1204
作者:
Zhong, Feisheng
;
Xing, Jing
;
Li, Xutong
;
Liu, Xiaohong
;
Fu, Zunyun
  |  
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2019/01/08
drug design
artificial intelligence
deep learning
QSAR
ADME/T