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兰州大学 [46]
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期刊论文 [45]
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pharmacol... [46]
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Study on the active mechanism of beta-secretase inhibitors by molecular simulations
期刊论文
EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES, 2015, 卷号: 76, 页码: 138-148
作者:
Tian, YL
;
Lv, M
;
Li, JJ
;
Xu, T
;
Zhai, HL
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2017/01/11
Proteolytic enzyme beta-secretase
Binding mechanism
3D-QSAR
Molecular docking
Molecular dynamics
A combination of pharmacophore modeling, virtual screening, and molecular docking studies for a diverse set of colchicine site inhibitors
期刊论文
MEDICINAL CHEMISTRY RESEARCH, 2014, 卷号: 23, 期号: 11, 页码: 4713-4723
作者:
Li, HH
;
Liu, T
;
Xuan, HX
;
Fang, SB
;
Zhao, CY
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/12/29
Colchicine binding site inhibitors
Pharmacophore
Virtual screening
Docking
Molecular modeling study on the structural basis of binding mechanism of C6-substituted phthalides with monoamine oxidases
期刊论文
MEDICINAL CHEMISTRY RESEARCH, 2014, 卷号: 23, 期号: 8, 页码: 3624-3631
作者:
Li, PZ
;
Tian, YL
;
Zhai, HL
;
Deng, FF
;
Xie, MH
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2015/05/21
Phthalide
Monoamine oxidase
Binding mode
Molecular docking
Molecular modeling and residue interaction network studies on the mechanism of binding and resistance of the HCV NS5B polymerase mutants to VX-222 and ANA598
期刊论文
ANTIVIRAL RESEARCH, 2014, 卷号: 104
-
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  |  
浏览/下载:4/0
  |  
提交时间:2014/12/05
HCV NS5B polymerase
Mutation-induced drug resistance
Molecular docking
MD simulation
Binding free energy calculation
Residue interaction network
Cytotoxic Activity and DNA-Binding Properties of Isoeuxanthone Derivatives
期刊论文
CHEMICAL & PHARMACEUTICAL BULLETIN, 2014, 卷号: 62, 期号: 3
-
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  |  
浏览/下载:126/0
  |  
提交时间:2014/12/05
isoeuxanthone derivative
DNA-binding
intercalative mode
cytotoxic activity
8-Aminoquinoline-based ratiometric zinc probe: Unexpected binding mode and its application in living cells
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2013, 卷号: 23, 期号: 12
-
收藏
  |  
浏览/下载:49/0
  |  
提交时间:2014/12/05
Zinc probe
8-Aminoquinoline
Living cell imaging
Antitumor Activity and DNA-Binding Investigations of Isoeuxanthone and Its Piperidinyl Derivative
期刊论文
CHEMICAL & PHARMACEUTICAL BULLETIN, 2013, 卷号: 61, 期号: 6
-
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  |  
浏览/下载:127/0
  |  
提交时间:2014/12/05
isoeuxanthone
1-hydroxy-6-(2-(1-piperidinyl)ethoxy)xanthone
DNA
intercalation mode
cytotoxicity
The Evolution of HLA-B*3501 Binding Affinity to Variable Immunodominant NP418-426 Peptides from 1918 to 2009 Pandemic Influenza A Virus: A Molecular Dynamics Simulation and Free Energy Calculation Study
期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2012, 卷号: 79, 期号: 6
-
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2014/12/05
2009 influenza A virus
HLA-B*3501
molecular dynamics simulation
NP418-426
pMHC-I
Prediction of the binding affinities of adenosine A(2A) receptor antagonists based on the heuristic method and support vector machine
期刊论文
MEDICINAL CHEMISTRY RESEARCH, 2011, 卷号: 20, 期号: 8, 页码: 1220-1228
作者:
Lu, P
;
Wei, X
;
Zhang, RS
;
Yuan, YN
;
Gong, ZG
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/12/15
QSAR
Adenosine A(2A) receptor antagonists
Molecular descriptor
Heuristic method
Support vector machine
Binding studies of phloridzin with human serum albumin and its effect on the conformation of protein
期刊论文
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 2011, 卷号: 56, 期号: 2
-
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2014/12/05
Phloridzin
Human serum albumin (HSA)
Three-dimensional (3D) fluorescence
Fourier transformation infrared spectra (FT-IR)
Molecular modeling
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