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上海药物研究所 [2]
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期刊论文 [8]
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In silico screening of a novel scaffold for fructose-1,6-bisphosatase (FBPase) inhibitors
期刊论文
Journal of Molecular Graphics and Modelling, 2019, 卷号: 86, 页码: 142-148
作者:
Huang, Yunyuan
;
Chi, Bo
;
Xu, Yanhong
;
Song, Rongrong
;
Wei, Lin
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2019/12/23
Fructose-1,6-bisphosphate (FBPase)
FBPase inhibitors
DOX2.0
FBPase
fructose-1,6-bisphosphatase
FBP
fructose-1,6-biphosphate
IC50
half maximal inhibitory concentration
PAINS
Pan Assay Interference
T2D
Type 2 diabetes
SAR
structure−activity relationship
EGP
endogenous glucose production
GNG
gluconeogenesis
AMP
adenosine monophosphate
DOX
Docking ONIOM eXtended ONIOM (XO)
DOX2.0
Docking PM7@Mopac XO2
LE
ligand efficiency
LELP
lipophilicity-corrected ligand efficiency
Synthesis and structure-activity relationship of non-phosphorus-based fructose-1,6-bisphosphatase inhibitors: 2,5-Diphenyl-1,3,4-oxadiazoles
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2014, 卷号: 83, 页码: 15-25
作者:
Liao, Ben-Ren
;
He, Hai-Bing
;
Yang, Ling-Ling
;
Gao, Li-Xin
;
Chang, Liang
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/01/08
Diabetes
Antidiabetic
Fructose-1,6-bisphosphatase (FBPase)
Inhibitor
2,5-Diphenyl-1,3,4-oxadiazoles
DESIGN, SYNTHESIS AND BIOLOGICAL ACTIVITY EVALUATION OF 2,5-DIPHENYL-1,3,4-OXADIAZOLE DERIVATIVES AS NOVEL INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE
期刊论文
HETEROCYCLES, 2012, 卷号: 85, 期号: 11, 页码: 2693-2712
作者:
He, Hai-Bing
;
Gao, Li-Xin
;
Zhou, Yue-Yang
;
Liu, Ting
;
Tang, Jie
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2019/01/08
Fructose-1,6-bisphosphatase
2,5-Phenyl-1,3,4-oxadiazole
Type-2 Diabetes
Enzyme Inhibition
In Silico Identification of Structure Requirement for Novel Thiazole and Oxazole Derivatives as Potent Fructose 1,6-Bisphosphatase Inhibitors
期刊论文
international journal of molecular sciences, 2011, 卷号: 12, 期号: 11, 页码: 8161-8180
作者:
Hao, Ming
;
Zhang, Xiaole
;
Ren, Hong
;
Li, Yan
;
Zhang, Shuwei
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2012/07/09
3D-QSAR
molecular dynamics
FBPase inhibitors
CoMFA
CoMSIA
Protein-based alignment in 3D-QSAR of FBPase inhibitors
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2011, 卷号: 46, 期号: 3, 页码: 885-892
作者:
Yi, Ping
;
Di, Ying-Tong
;
Liu, Wei
;
Hao, Xiao-Jiang
;
Ming, Yong
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2012/04/10
3D-QSAR
GOLD
CoMFA
FBPase
In Silico Identification of Structure Requirement for Novel Thiazole and Oxazole Derivatives as Potent Fructose 1,6-Bisphosphatase Inhibitors
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2011, 卷号: 12, 页码: 8161-8180
作者:
Hao, Ming
;
Zhang, Xiaole
;
Ren, Hong
;
Li, Yan
;
Zhang, Shuwei
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/18
3D-QSAR
molecular dynamics
FBPase inhibitors
CoMFA
CoMSIA
In Silico Identification of Structure Requirement for Novel Thiazole and Oxazole Derivatives as Potent Fructose 1,6-Bisphosphatase Inhibitors
期刊论文
International Journal of Molecular Sciences, 2011, 期号: 11, 页码: 8161-8180
作者:
Hao Ming
;
Zhang Xiaole
;
Ren Hong
;
Li Yan
;
Zhang Shuwei
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/12/23
3D-QSAR
molecular dynamics
FBPase inhibitors
CoMFA
CoMSIA
In Silico Identification of Structure Requirement for Novel Thiazole and Oxazole Derivatives as Potent Fructose 1,6-Bisphosphatase Inhibitors
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2011, 卷号: 12, 期号: 11, 页码: 8161-8180
作者:
Hao, Ming
;
Zhang, Xiaole
;
Ren, Hong
;
Li, Yan
;
Zhang, Shuwei
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/23
3D-QSAR
molecular dynamics
FBPase inhibitors
CoMFA
CoMSIA
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