Structure-based 3D-QSAR models and dynamics analysis of novel N-benzyl pyridinone as p38α MAP kinase inhibitors for anticytokine activity

Journal of Molecular Graphics and Modelling

Volumn 36, Issue , 2012, Pages 48-61

  Ul Haq, Zaheer ^a   Khan, Waqasuddin ^a   Zia, Syeda Rehana ^a   Iqbal, Sadaf ^a  

^a UNIVERSITY OF KARACHI   (Pakistan)

Author keywords

3D QSAR; CoMFA; CoMSIA; Docking; Molecular dynamics simulation; p38 MAP kinase

Indexed keywords

3D-QSAR; COMFA; COMSIA; MAP KINASE; MOLECULAR DYNAMICS SIMULATIONS;

DOCKING; ENZYMES; MOLECULAR DYNAMICS; MOLECULAR GRAPHICS; MOLECULAR MECHANICS; THREE DIMENSIONAL COMPUTER GRAPHICS;

THREE DIMENSIONAL;

1 BENZYL 4 (BENZYLOXY) 3 BROMOPYRIDIN 2(1H) ONE; MITOGEN ACTIVATED PROTEIN KINASE P38 INHIBITOR; PYRIDINE DERIVATIVE; SC 25028; SCAFFOLD PROTEIN; UNCLASSIFIED DRUG;

ANTICYTOKINE ACTIVITY; ARTICLE; DRUG ACTIVITY; DRUG STRUCTURE; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; PRIORITY JOURNAL; PROTEIN STRUCTURE; PROTEIN SYNTHESIS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL IMAGING;

HUMANS; MITOGEN-ACTIVATED PROTEIN KINASE 14; MOLECULAR DYNAMICS SIMULATION; PROTEIN KINASE INHIBITORS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84859936632     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2012.02.003     Document Type: Article

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