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上海药物研究所 [254]
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期刊论文 [253]
学位论文 [1]
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2021 [18]
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The discovery of a novel series of potential ERR alpha inverse agonists based on p-nitrobenzenesulfonamide template for triple-negative breast cancer in vivo
期刊论文
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, 2022, 卷号: 37, 期号: 1, 页码: 125-134
作者:
Gao, Zhipei
;
Wang, Tianxiao
;
Li, Rui
;
Du, Yongli
;
Lv, Han
收藏
  |  
浏览/下载:39/0
  |  
提交时间:2022/01/18
ERR alpha
TNBC
p-Nitrobenzenesulfonamide
inverse agonist
Distal mutation V486M disrupts the catalytic activity of DPP4 by affecting the flap of the propeller domain
期刊论文
ACTA PHARMACOLOGICA SINICA, 2021, 页码: 9
作者:
Li, Teng-teng
;
Peng, Cheng
;
Wang, Ji-qiu
;
Xu, Zhi-jian
;
Su, Ming-bo
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  |  
浏览/下载:42/0
  |  
提交时间:2022/01/18
DPP4
distal mutation
enzymatic activity
molecular dynamics simulation
structure-function mechanism
Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation
期刊论文
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2021, 卷号: 118, 期号: 45, 页码: 9
作者:
Liu, Xiao
;
Yang, Su
;
Hart, Jonathan R.
;
Xu, Yingna
;
Zou, Xinyu
收藏
  |  
浏览/下载:39/0
  |  
提交时间:2022/01/04
phosphoinositide 3-kinase (PI3K)
activation
inhibition
activity-dependent conformational changes
Identification of phosphodiesterase-4 as the therapeutic target of arctigenin in alleviating psoriatic skin inflammation
期刊论文
JOURNAL OF ADVANCED RESEARCH, 2021, 卷号: 33, 页码: 241-251
作者:
Li, Heng
;
Zhang, Xianglei
;
Xiang, Caigui
;
Feng, Chunlan
;
Fan, Chen
收藏
  |  
浏览/下载:86/0
  |  
提交时间:2021/11/04
PDE4
Arctigenin
Psoriasis
Inflammation
Synthesis and biological evaluation of 2,5-diaryl-1,3,4-oxadiazole derivatives as novel Src homology 2 domain-containing protein tyrosine phosphatase 2 (SHP2) inhibitors
期刊论文
BIOORGANIC CHEMISTRY, 2021, 卷号: 116, 页码: 13
作者:
Meng, Xiang-Dong
;
Gao, Li-Xin
;
Wang, Zhi-Jia
;
Feng, Bo
;
Zhang, Chun
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2021/12/01
2,5-diphenyl-1,3,4-oxadiazole derivatives
SHP2
Inhibitors
Structure-activity relationships (SAR)
Structure-Based Virtual Screening and Identification of Potential Inhibitors of SARS-CoV-2 S-RBD and ACE2 Interaction
期刊论文
FRONTIERS IN CHEMISTRY, 2021, 卷号: 9, 页码: 12
作者:
Xiong, Jiacheng
;
Xiang, Yusen
;
Huang, Ziming
;
Liu, Xiaohong
;
Wang, Mengge
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  |  
浏览/下载:39/0
  |  
提交时间:2021/12/01
SARS-CoV-2
angiotensin-converting enzyme 2 (ACE2)
spike protein receptor-binding domain (S-RBD)
structure-based virtual screening
protein-protein interaction (PPI) inhibitors
A hybrid framework for improving uncertainty quantification in deep learning-based QSAR regression modeling
期刊论文
JOURNAL OF CHEMINFORMATICS, 2021, 卷号: 13, 期号: 1, 页码: 17
作者:
Wang, Dingyan
;
Yu, Jie
;
Chen, Lifan
;
Li, Xutong
;
Jiang, Hualiang
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  |  
浏览/下载:59/0
  |  
提交时间:2021/11/04
Uncertainty quantification
Quantitative structure-activity relationship
Bayesian neural network
Applicability domain
Bayesian inference
Error prediction
Artificial intelligence
Synthesis of 5-Phenyl-1,3,4-thiadiazole Derivatives and Their Biochemical Evaluation against Src Homology 2 Domain-Containing Protein Tyrosine Phosphatase 1 (SHP1)
期刊论文
CHINESE JOURNAL OF ORGANIC CHEMISTRY, 2021, 卷号: 41, 期号: 8, 页码: 3097-3105
作者:
Yu Lijie
;
Feng Bo
;
Wang Zhijia
;
Gao Lixin
;
Zhang Chun
收藏
  |  
浏览/下载:195/0
  |  
提交时间:2021/11/04
5-phenyl-1,3,4-thiadiazole derivatives
Src homology 2 domain-containing protein tyrosine phosphatase 1 (SHP1)
inhibitors
structure-activity relationships
Molecular insights into differentiated ligand recognition of the human parathyroid hormone receptor 2
期刊论文
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2021, 卷号: 118, 期号: 32, 页码: 8
作者:
Wang, Xi
;
Cheng, Xi
;
Zhao, Lihua
;
Wang, Yuzhe
;
Ye, Chenyu
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2021/11/04
parathyroid hormone receptor 2
cryo-electron microscopy
G protein-coupled receptor
ligand recognition
syndromic short stature
Structural insights into hormone recognition by the human glucose-dependent insulinotropic polypeptide receptor
期刊论文
ELIFE, 2021, 卷号: 10, 页码: 20
作者:
Zhao, Fenghui
;
Zhang, Chao
;
Zhou, Qingtong
;
Hang, Kaini
;
Zou, Xinyu
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2021/08/17
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