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 [450]
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OAI收割 [450]
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期刊论文 [343]
项目 [97]
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Chemistry [3]
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Formyl phloroglucinol meroterpenoids from the leaves of
Eucalyptus
globulus
subsp.
maidenii
and their ATP-citrate lyase inhibitory activities
期刊论文
OAI收割
FITOTERAPIA, 2024, 卷号: 173, 页码: 6
作者:
Hu, Zhu
;
Liu, Yi-Nan
;
Yu, Mei-Hua
;
Hou, Ai -Jun
;
Li, Jing-Ya
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2024/03/13
Eucalyptus globulus subsp. maidenii
Meroterpenoids
ATP-citrate lyase
Meta-MolNet: A Cross-Domain Benchmark for Few Examples Drug Discovery
期刊论文
OAI收割
IEEE TRANSACTIONS ON NEURAL NETWORKS AND LEARNING SYSTEMS, 2024, 页码: 15
作者:
Lv, Qiujie
;
Chen, Guanxing
;
Yang, Ziduo
;
Zhong, Weihe
;
Chen, Calvin Yu-Chian
  |  
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2024/04/09
Benchmark platform
cross-domain meta-learning
drug discovery
few examples
Meta-MolNet
molecular property
Discovery of a 1,6-naphthyridin-4-one-based AXL inhibitor with improved pharmacokinetics and enhanced in vivo antitumor efficacy
期刊论文
OAI收割
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2024, 卷号: 265, 页码: 17
作者:
Lan, Yaohan
;
Peng, Xia
;
Ji, Yinchun
;
Su, Yi
;
Duan, Wenhu
  |  
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2024/02/27
AXL inhibitor
In vivo antitumor efficacy
6-Naphthyridin-4-one derivatives
Scaffold hopping
Structure-based drug design
Discovery, Optimization, and Evaluation of Novel Pyridin-2(1
H
)-one Analogues as Potent TRK Inhibitors for Cancer Treatment
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2024, 卷号: 67, 期号: 2, 页码: 1168-1183
作者:
Xu, Zichao
;
Peng, Xia
;
Zhang, Renjie
;
Ji, Yinchun
;
You, Mengke
  |  
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2024/02/27
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
Structure-based drug discovery of novel fused- pyrazolone carboxamide derivatives as potent and selective AXL inhibitors
期刊论文
OAI收割
ACTA PHARMACEUTICA SINICA B, 2023, 卷号: 13, 期号: 12, 页码: 4918-4933
作者:
Fang, Feifei
;
Dai, Yang
;
Wang, Hao
;
Ji, Yinchun
;
Liang, Xuewu
  |  
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2024/01/26
derivatives
Antitumor drug development
Potential AXL inhibitor
Antitumor activity
Structure-based drug design
Fused-pyrazolone carboxamide
Sterically demanding Csp
2
(ortho-substitution)-Csp
3
(tertiary) bond formation via carboxylate-directed Mizoroki-Heck reaction under extra-ligand-free conditions
期刊论文
OAI收割
ORGANIC & BIOMOLECULAR CHEMISTRY, 2023, 页码: 5
作者:
Zeng, Wei
;
Chen, Ai-Wen
;
Yan, Ming-Jie
;
Wang, Jie
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2024/01/16
Design, Synthesis, and Pharmacological Evaluation of Isoindoline Analogues as New HPK1 Inhibitors
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2023, 卷号: 66, 期号: 23, 页码: 16201-16221
作者:
Xie, Chenghu
;
Liu, Bo
;
Song, Zilan
;
Yang, Ye
;
Dai, Mengdi
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2024/02/27
High-throughput design of energetic molecules
期刊论文
OAI收割
JOURNAL OF MATERIALS CHEMISTRY A, 2023, 卷号: 11, 期号: 45, 页码: 25031-25044
作者:
Liu, Jian
;
Zhao, Shicao
;
Duan, Bowen
;
He, Xudong
;
Yang, Chunming
  |  
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2023/12/19
Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity
期刊论文
OAI收割
CHEMICAL SCIENCE, 2023, 页码: 9
作者:
Zheng, Cheng-Yu
;
Zhao, Jin-Xin
;
Yuan, Chang-Hao
;
Peng, Xia
;
Geng, Meiyu
  |  
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2023/12/19