Highly predictive CoMFA and CoMSIA models for two series of stromelysin-1 (MMP-3) inhibitors elucidate S1' and S1-S2' binding modes

Journal of Chemical Information and Modeling

Volumn 46, Issue 4, 2006, Pages 1775-1783

  Amin, Elizabeth A ^a   Welsh, William J ^b  

^a University of Minnesota   (United States)

^b RUTGERS ROBERT WOOD JOHNSON MEDICAL SCHOOL   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CRYSTAL STRUCTURE; ELECTROSTATICS; HYDROGEN BONDS; HYDROPHOBICITY; SOLVENTS;

COMPARATIVE MOLECULAR FIELD ANALYSIS (COMFA); COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS (COMSIA); ELECTROSTATIC EFFECTS; HYDROPHOBIC EFFECTS;

ENZYME INHIBITION;

PROTEINASE INHIBITOR; STROMELYSIN;

ARTICLE; CHEMICAL STRUCTURE; DRUG ANTAGONISM; HYDROGEN BOND; METABOLISM;

HYDROGEN BONDING; MATRIX METALLOPROTEINASE 3; MODELS, MOLECULAR; PROTEASE INHIBITORS;

EID: 33746893424     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci060089d     Document Type: Article

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