Combined 3D-QSAR modeling and molecular docking study on indolinone derivatives as inhibitors of 3-phosphoinositide-dependent protein kinase-1

Journal of Chemical Information and Modeling

Volumn 48, Issue 9, 2008, Pages 1760-1772

  Abdulhameed, Mohamed Diwan M ^a   Hamza, Adel ^a   Liu, Junjun ^a   Zhan, Chang Guo ^a  

^a UNIVERSITY OF KENTUCKY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

3D MODELING; BIOACTIVITY; ENZYMES; MOLECULAR GRAPHICS; MOLECULAR MODELING; STRUCTURES (BUILT OBJECTS);

3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1; EXPERIMENTAL ACTIVITIES; MICROSCOPIC STRUCTURES; MOLECULAR DOCKING; STRUCTURAL INSIGHTS; STRUCTURE ACTIVITY CORRELATIONS; STRUCTURE ACTIVITY RELATIONSHIPS; THREE DIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP (3D QSAR);

COMPUTATIONAL CHEMISTRY;

3 PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE; 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE; INDOLE DERIVATIVE; PROTEIN SERINE THREONINE KINASE;

ARTICLE; BINDING SITE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG ANTAGONISM; DRUG EFFECT; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL IMAGING;

BINDING SITES; COMPUTER SIMULATION; IMAGING, THREE-DIMENSIONAL; INDOLES; MODELS, CHEMICAL; MOLECULAR STRUCTURE; PROTEIN-SERINE-THREONINE KINASES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 54249144496     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci800147v     Document Type: Article

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