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上海药物研究所 [13]
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期刊论文 [19]
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Computational Studies on Acetylcholinesterases
期刊论文
MOLECULES, 2017, 卷号: 22, 期号: 8
作者:
Xu, Yechun
;
Cheng, Shanmei
;
Sussman, Joel L.
;
Silman, Israel
;
Jiang, Hualiang
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2019/01/08
acetylcholinesterase
computational modeling and simulation
active-site gorge
ligand trafficking
oligomer
catalytic reaction mechanism
Gorge Motions of Acetylcholinesterase Revealed by Microsecond Molecular Dynamics Simulations
期刊论文
SCIENTIFIC REPORTS, 2017, 卷号: 7
作者:
Cheng, Shanmei
;
Song, Wanling
;
Yuan, Xiaojing
;
Xu, Yechun
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/01/08
Competitive Inhibition Mechanism of Acetylcholinesterase without Catalytic Active Site Interaction: Study on Functionalized C-60 Nanoparticles via in Vitro and in Silico Assays
期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2017, 卷号: 9, 期号: 22, 页码: 18626-18638
作者:
Liu, Yanyan
;
Yan, Bing
;
Winkler, David A.
;
Fu, Jianjie
;
Zhang, Aigian
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2018/07/26
C-60 Nanoparticle
Acetylcholinesterase
Competitive Inhibition
Peripheral Anionic Site
Quantitative Nanostructure-activity Relationship
Molecular Docking
Site-directed Mutation
The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex
期刊论文
PROTEIN SCIENCE, 2016, 卷号: 25, 期号: 6, 页码: 1096-1114
作者:
Dym, Orly
;
Song, Wanling
;
Felder, Clifford
;
Roth, Esther
;
Shnyrov, Valery
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2019/01/08
polyethylene glycol
structure-based drug discovery
acetylcholinesterase
methylene blue
decamethonium
Synthesis, biological evaluation and molecular modeling of substituted 2-aminobenzimidazoles as novel inhibitors of acetylcholinesterase and butyrylcholinesterase
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY, 2013, 卷号: 21, 期号: 14, 页码: 4218-4224
作者:
Zhu, Jinmei
;
Wu, Chun-Feng
;
Li, Xiaobing
;
Wu, Gui-Sheng
;
Xie, Shan
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2013/10/16
Alzheimer's Disease
Acetylcholinesterase
Butyrylcholinesterase
Molecular Modeling
2-aminobenzimidazole
Synthesis, biological evaluation and molecular modeling of substituted 2-aminobenzimidazoles as novel inhibitors of acetylcholinesterase and butyrylcholinesterase
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY, 2013, 卷号: 21, 期号: 14, 页码: 4218-4224
作者:
Zhu JM
;
Wu CF
;
Li XB
;
Wu GS
;
Xie S
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2014/10/17
Butyrylcholinesterase
Acetylcholinesterase
Molecular modeling
2-Aminobenzimidazole
Alzheimer's disease
Backdoor opening mechanism in acetylcholinesterase based on X-ray crystallography and molecular dynamics simulations
期刊论文
PROTEIN SCIENCE, 2011, 卷号: 20, 期号: 7, 页码: 1114-1118
作者:
Sanson, Benoit
;
Colletier, Jacques-Philippe
;
Xu, Yechun
;
Lang, P. Therese
;
Jiang, Hualiang
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/01/08
acetylcholinesterase
X-ray crystallography
sub-domain
molecular dynamics simulations
substrate traffic
backdoor
Long Route or Shortcut? A Molecular Dynamics Study of Traffic of Thiocholine within the Active-Site Gorge of Acetylcholinesterase
期刊论文
BIOPHYSICAL JOURNAL, 2010, 卷号: 99, 期号: 12, 页码: 4003-4011
作者:
Xu, Yechun
;
Colletier, Jacques-Philippe
;
Weik, Martin
;
Qin, Guangrong
;
Jiang, Hualiang
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2019/01/08
Novel acetylcholinesterase inhibitors: Synthesis and structure-activity relationships of phthalimide alkyloxyphenyl N,N-dimethylcarbamate derivatives
期刊论文
PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY, 2009, 卷号: 95, 期号: 3, 页码: 131-134
作者:
Zhao, Qianfei
;
Yang, Guoquan
;
Mei, Xiangdong
;
Yuan, Huizhu
;
Ning, Jun
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2015/08/07
Carbamate insecticides
AChE
Multiple binding sites
Phthalimide alkyloxyphenyl N
Inhibitory activity
Structure-activity relationship
N-dimethylcarbamate
Rational design and synthesis of highly potent anti-acetylcholinesterase activity huperzine A derivatives
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY, 2009, 卷号: 17, 期号: 19, 页码: 6937-6941
作者:
Yan, Jian
;
Sun, Lirong
;
Wu, Guisheng
;
Yi, Ping
;
Yang, Fumei
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2012/03/21
Alzheimer's Disease
Hupzine a
Ache
Docking Study
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