Molecular docking and 3D-QSAR CoMFA studies on indole inhibitors of GIIA secreted phospholipase A2

Journal of Chemical Information and Modeling

Volumn 50, Issue 9, 2010, Pages 1589-1601

  Mouchlis, Varnavas D ^a   Mavromoustakos, Thomas M ^a   Kokotos, George ^a  

^a UNIVERSITY OF ATHENS   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

POLYCYCLIC AROMATIC HYDROCARBONS; PROTEINS;

COMPARATIVE MOLECULAR FIELD ANALYSIS; DESIGN AND EVALUATIONS; GOOD CORRELATIONS; INDOLE INHIBITORS; INHIBITORY ACTIVITY; MOLECULAR DOCKING; PREDICTIVE ABILITIES; THREE DIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP (3D QSAR);

COMPUTATIONAL CHEMISTRY;

INDOLE DERIVATIVE; PHOSPHOLIPASE A2;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; DRUG DESIGN; ENZYME ACTIVE SITE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATIC ELECTRICITY;

CATALYTIC DOMAIN; DRUG DESIGN; INDOLES; MODELS, MOLECULAR; PHOSPHOLIPASES A2; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; STATIC ELECTRICITY;

EID: 77957244309     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci100217k     Document Type: Article

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