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科研机构
华中师范大学 [28]
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期刊论文 [28]
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2019 [2]
2018 [1]
2017 [2]
2016 [6]
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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
Design, synthesis and algicides activities of thiourea derivatives as the novel scaffold aldolase inhibitors.
期刊论文
Bioorganic & medicinal chemistry, 2019, 卷号: 27, 期号: 5, 页码: 805-812
作者:
Xiao, Shan
;
Wei, Lin
;
Hong, Zongqin
;
Rao, Li
;
Ren, Yanliang*
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/12/23
Aldolases
Algicides activities
De novo discovery
Fragment-based Virtual Screen
Thiourea
Natural products as sources of new fungicides (IV): Synthesis and biological evaluation of isobutyrophenone analogs as potential inhibitors of class-II fructose-1,6-bisphosphate aldolase
期刊论文
Bioorganic and Medicinal Chemistry, 2018, 卷号: 26, 期号: 2, 页码: 386-393
作者:
Li, Ding
;
Tuong Thi Mai Luong
;
Dan, Wen-Jia
;
Ren, Yanliang*
;
Hoang Xuan Nien
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/12/23
Isobutyrophenone
Class-II fructose-1,6-bisphosphate aldolase
Plant fungal pathogens
Antifungal activity
Design and optimization of N-acylhydrazone pyrimidine derivatives as E. coli PDHc E1 inhibitors: Structure-activity relationship analysis, biological evaluation and molecular docking study
期刊论文
Bioorganic and Medicinal Chemistry, 2017, 卷号: 25, 期号: 20, 页码: 5652-5661
作者:
He, Haifeng
;
Xia, Hongying
;
Xia, Qin
;
Ren, Yanliang
;
He, Hongwu*
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/23
ThDP
E. coli PHDc E1
Enzyme-selective
Molecular docking
Structure-Based Rational Design of Novel Inhibitors Against Fructose-1,6-Bisphosphate Aldolase from Candida albicans
期刊论文
Journal of Chemical Information and Modeling, 2017, 卷号: 57, 期号: 6, 页码: 1426-1438
作者:
Han, Xinya
;
Zhu, Xiuyun
;
Hong, Zongqin
;
Wei, Lin
;
Ren, Yanliang*
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2019/12/23
Rational design, synthesis and biological evaluation of 1,3,4-oxadiazole pyrimidine derivatives as novel pyruvate dehydrogenase complex E1 inhibitors
期刊论文
Bioorganic and Medicinal Chemistry, 2016, 卷号: 24, 期号: 8, 页码: 1879-1888
作者:
He, Haifeng
;
Wang, Wei
;
Zhou, Yuan
;
Xia, Qin
;
Ren, Yanliang
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/23
Antibacterial activity
PDHc-E1 inhibitor
Cyanobacteria
1,3,4-Oxadiazole
DOX: A new computational protocol for accurate prediction of the protein-ligand binding structures
期刊论文
Journal of Computational Chemistry, 2016, 卷号: 37, 期号: 3, 页码: 336-344
作者:
Rao, Li*
;
Chi, Bo
;
Ren, Yanliang
;
Li, Yongjian
;
Xu, Xin
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/12/23
ONIOM
Pose prediction
density functional theory
extended ONIOM
molecular docking
protein-drug binding
protein-ligand complexes
statin
A Rational Design, Synthesis, Biological Evaluation and Structure-Activity Relationship Study of Novel Inhibitors against Cyanobacterial Fructose-1,6-bisphosphate Aldolase
期刊论文
Journal of Chemical Information and Modeling, 2016, 卷号: 56, 期号: 1, 页码: 73-81
作者:
Han, Xinya
;
Zhu, Xiuyun
;
Zhu, Shuaihua
;
Wei, Lin
;
Hong, Zongqin
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/23
Design, synthesis, biological evaluation and molecular docking of amide and sulfamide derivatives as Escherichia coli pyruvate dehydrogenase complex E1 inhibitors
期刊论文
RSC Advances, 2016, 卷号: 6, 期号: 6, 页码: 4310-4320
作者:
He, Haifeng
;
Feng, Jiangtao
;
He, Junbo
;
Xia, Qin
;
Ren, Yanliang
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/23
Synthesis and biological evaluation of novel inhibitors against 1,3,8-trihydroxynaphthalene reductase from Magnaporthe grisea
期刊论文
Bioorganic and Medicinal Chemistry, 2016, 卷号: 24, 期号: 6, 页码: 1225-1230
作者:
Chen, Haifeng
;
Han, Xinya
;
Qin, Nian
;
Wei, Lin
;
Yang, Yue
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/23
1,3,8-Trihydroxynaphthalene reductase
Novel inhibitors
Magnaporthe grisea
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