3D-QSAR and molecular docking studies on substituted isothiazole analogs as inhibitors against MEK-1 kinase

Chemical Biology and Drug Design

Volumn 79, Issue 1, 2012, Pages 84-91

  Reddy, Bandi Madhusudhan ^a   Tanneeru, Karunakar ^a   Meetei, Potshangbam Angamba ^a   Guruprasad, Lalitha ^a  

^a UNIVERSITY OF HYDERABAD   (India)

Author keywords

Allosteric inhibitor; Comparative molecular field analysis; Comparative molecular similarity indices analysis; MEK 1 kinase; Molecular docking; Substituted isothiazole analogs; Three dimensional quantitative structure activity relationship

Indexed keywords

ENZYME INHIBITOR; ISOTHIAZOLE DERIVATIVE; MITOGEN ACTIVATED PROTEIN KINASE KINASE 1; MITOGEN ACTIVATED PROTEIN KINASE KINASE 2;

ARTICLE; CELL SURVIVAL; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; DRUG ACTIVITY; DRUG STRUCTURE; ENZYME INHIBITION; HUMAN; MOLECULAR DOCKING; NEOPLASM; PRIORITY JOURNAL; PROTEIN FUNCTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ALLOSTERIC REGULATION; COMPUTER SIMULATION; ENZYME ACTIVATION; MAP KINASE KINASE KINASE 1; PROTEIN KINASE INHIBITORS; PROTEIN STRUCTURE, TERTIARY; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOFTWARE; THIAZOLES;

EID: 84155162375     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2011.01250.x     Document Type: Article

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