Strategies to design pyrazolyl urea derivatives for p38 kinase inhibition: A molecular modeling study

Journal of Computer-Aided Molecular Design

Volumn 21, Issue 4, 2007, Pages 155-166

  Kulkarni, Ravindra G ^a   Srivani, Palukuri ^b   Achaiah, Garlapati ^a   Sastry, G Narahari ^b  

^a KAKATIYA UNIVERSITY   (India)

^b INDIAN INSTITUTE OF CHEMICAL TECHNOLOGY   (India)

Author keywords

CoMFA; CoMSIA; Docking; p38MAP Kinase; Pyrazolylurea

Indexed keywords

AMINO ACIDS; COMPUTATIONAL CHEMISTRY; ENZYME INHIBITION; METABOLISM; MOLECULAR MODELING; MOLECULES;

3D-QSAR; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDEX; DOCKING; MOLECULAR DOCKING; MOLECULAR SIMILARITY; P38MAP KINASE; PYRAZOLYL; PYRAZOLYLUREA; SIMILARITY INDICES;

UREA;

ANTIINFLAMMATORY AGENT; DORAMAPIMOD; MITOGEN ACTIVATED PROTEIN KINASE P38; PYRAZOLYLUREA DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; DRUG DESIGN; DRUG STRUCTURE; ENZYME INHIBITION; MOLECULAR DOCKING; MOLECULAR MODEL; PRIORITY JOURNAL; PROTEIN INTERACTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL IMAGING; VALIDATION PROCESS;

EID: 34047158651     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-006-9092-9     Document Type: Article

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