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兰州大学 [12]
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期刊论文 [12]
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2016 [1]
2015 [1]
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pharmacol... [12]
biochemist... [3]
chemistry [2]
virology [1]
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内容类型:期刊论文
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Design, synthesis, cytotoxic activity and molecular docking studies of new 20(S)-sulfonylamidine camptothecin derivatives
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2016, 卷号: 115, 页码: 109-120
作者:
Song, ZL
;
Wang, MJ
;
Li, LL
;
Wu, D
;
Wang, YH
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/01/11
Camptothecin
Cytotoxic activity
Molecular docking
Sulfonylamidine
Synthesis
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
Design, synthesis, crystal structure, bioactivity, and molecular docking studies of novel sulfonylamidine-derived neonicotinoid analogs
期刊论文
MEDICINAL CHEMISTRY RESEARCH, 2014, 卷号: 23, 期号: 12, 页码: 5043-5057
作者:
Yang, L
;
Zhao, YL
;
Zhao, CY
;
Li, HH
;
Wang, MJ
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/12/29
Sulfonylamidine
Acaricidal activity
Insecticidal activity
X-ray diffraction
Molecular docking
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
Studies on the inhibitory models of pyrazoline derivatives as EGFR kinase inhibitors by 3D-QSAR and molecular docking
期刊论文
MEDICINAL CHEMISTRY RESEARCH, 2014, 卷号: 23, 期号: 6
-
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2014/12/05
Pyrazole derivatives
EGFR inhibitors
3D-QSAR
CoMFA
CoMSIA
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
-
收藏
  |  
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
Molecular design of new aggrecanases-2 inhibitors
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2013, 卷号: 23, 期号: 19
-
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2014/12/05
Aggrecanase-2
Inhibitor
Molecular design
Quantitative structure-activity relationship
Molecular docking
Study on the Anticancer Activity of Coumarin Derivatives by Molecular Modeling
期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2011, 卷号: 78, 期号: 4
-
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2014/12/05
anticancer activity
CoMFA
CoMSIA
coumarin
docking
protein kinase 2
Structural Requirements of Isoquinolones as Novel Selective c-Jun N-terminal Kinase 1 Inhibitors: 2D and 3D QSAR Analyses
期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2011, 卷号: 77, 期号: 4
-
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2014/12/05
c-Jun N-terminal kinase 1
comparative molecular field analysis
docking
genetic algorithm-multiple linear regression
isoquinolones
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