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上海药物研究所 [122]
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山东大学 [15]
复旦大学上海医学院 [14]
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期刊论文 [346]
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2019 [349]
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Deciphering molecular mechanism behind conformational change of the Sao Paolo metallo-beta-lactamase 1 by using enhanced sampling
期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2019, 页码: 12
作者:
Chen, Jianzhong
;
Wang, Jinan
;
Pang, Laixue
;
Wang, Wei
;
Zhao, Juan
收藏
  |  
浏览/下载:47/0
  |  
提交时间:2020/07/01
Sao paolo metallo-beta-lactamase-1
REMD simulations
normal mode analysis
principal component analysis
drug resistance of antibiotics
Discovery of a Highly Selective and Potent kappa Opioid Receptor Agonist from N-Cyclopropylmethyl-7 alpha-phenyl-6,14-endoethanotetrahydronorthebaines with Reduced Central Nervous System (CNS) Side Effects Navigated by the Message-Address Concept
期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 62, 期号: 24, 页码: 11054-11070
作者:
Xiao, Li
;
Wang, Yujun
;
Zhang, Mumei
;
Wu, Weiwei
;
Kong, Linghui
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  |  
浏览/下载:92/0
  |  
提交时间:2020/07/01
Practical synthesis of Vistusertib (AZD2014), an ATP competitive mTOR inhibitor
期刊论文
TETRAHEDRON LETTERS, 2019, 卷号: 60, 期号: 52, 页码: 3
作者:
Shen, Guobing
;
Liu, Miaoqing
;
Lu, Jianjun
;
Meng, Tao
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2020/07/01
Vistusertib
AZD2014
mTOR inhibitor
3-Acetylbenzoic acid
Conformation of the Macrocyclic Drug Lorlatinib in Polar and Nonpolar Environments: A MD Simulation and NMR Study
期刊论文
ACS OMEGA, 2019, 卷号: 4, 期号: 26, 页码: 22245-22250
作者:
Peng, Cheng
;
Atilaw, Yoseph
;
Wang, Jinan
;
Xu, Zhijian
;
Poongavanam, Vasanthanathan
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  |  
浏览/下载:23/0
  |  
提交时间:2020/07/01
Sulfur-centered hemi-bond radicals as active intermediates in S-DNA phosphorothioate oxidation
期刊论文
NUCLEIC ACIDS RESEARCH, 2019, 卷号: 47, 期号: 22, 页码: 11514-11526
作者:
Jie, Jialong
;
Xia, Ye
;
Huang, Chun-Hua
;
Zhao, Hongmei
;
Yang, Chunfan
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  |  
浏览/下载:15/0
  |  
提交时间:2020/09/10
Discovery and biological evaluation of vinylsulfonamide derivatives as highly potent, covalent TEAD autopalmitoylation inhibitors
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 184, 页码: 15
作者:
Lu, Wenchao
;
Wang, Jun
;
Li, Yong
;
Tao, Hongru
;
Xiong, Huan
收藏
  |  
浏览/下载:94/0
  |  
提交时间:2020/07/01
Hippo pathway
TEAD transcription factor
Covalent inhibitor
Palmitoylation inhibitor
Effective Virtual Screening Strategy toward heme-containing proteins: Identification of novel IDO1 inhibitors
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 184, 页码: 23
作者:
Zou, Yi
;
Hu, Yue
;
Ge, Shushan
;
Zheng, Yingbo
;
Li, Yuezhen
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  |  
浏览/下载:34/0
  |  
提交时间:2020/07/01
IDO1
Heme
T cell
Cancer immunotherapy
Virtual screening
Drug design
Molecular dynamics simulation
Discovery of Highly Polar beta-Homophenylalanine Derivatives as Nonsystemic Intestine-Targeted Dipeptidyl Peptidase IV Inhibitors
期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 62, 期号: 23, 页码: 10919-10925
作者:
Huang, Fubao
;
Ning, Mengmeng
;
Wang, Kai
;
Liu, Jia
;
Guan, Wenbo
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  |  
浏览/下载:22/0
  |  
提交时间:2020/07/01
A Novel Allosteric Inhibitor of Phosphoglycerate Mutase 1 Suppresses Growth and Metastasis of Non-Small-Cell Lung Cancer
期刊论文
CELL METABOLISM, 2019, 卷号: 30, 期号: 6, 页码: 1107-+
作者:
Huang, Ke
;
Liang, Qian
;
Zhou, Ye
;
Jiang, Lu-lu
;
Gu, Wei-ming
收藏
  |  
浏览/下载:77/0
  |  
提交时间:2020/07/01
Antibacterial metabolites from Ascidian-derived fungus Aspergillus clavatus AS-107
期刊论文
PHYTOCHEMISTRY LETTERS, 2019, 卷号: 34, 页码: 30-34
作者:
Song, Qi
;
Li, Xiao-Ming
;
Hu, Xue-Yi
;
Li, Xin
;
Chi, Lu-Ping
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2020/03/20
Ascidian-derived fungus
Aspergillus clavatus
Secondary metabolites
Antibacterial activity
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