Docking and 3D-QSAR studies on isatin sulfonamide analogues as caspase-3 inhibitors

Journal of Chemical Information and Modeling

Volumn 49, Issue 8, 2009, Pages 1963-1973

  Wang, Qi ^a   Mach, Robert H ^a   Reichert, David E ^a  

^a WASHINGTON UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; BINDING ENERGY; CELL DEATH; COMPUTATIONAL CHEMISTRY; HYDROPHOBICITY; LIGANDS; MOLECULAR GRAPHICS; SULFUR COMPOUNDS;

BINDING AFFINITIES; BINDING CONFORMATIONS; COMPARATIVE MOLECULAR FIELD ANALYSIS; HYDROPHOBIC INTERACTIONS; INHIBITION MECHANISMS; MOLECULAR SIMILARITY; PREDICTIVE POWER; STRUCTURE-BASED DESIGNS;

STRUCTURAL DESIGN;

CASPASE 3; DRUG DERIVATIVE; ISATIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; HUMAN; METABOLISM; PROTEIN BINDING; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

CASPASE 3; CRYSTALLOGRAPHY, X-RAY; HUMANS; ISATIN; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 69549129599     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci900144x     Document Type: Article

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