Elaborate ligand-based modeling reveal new submicromolar Rho kinase inhibitors

Journal of Computer-Aided Molecular Design

Volumn 26, Issue 2, 2012, Pages 249-266

  Shahin, Rand ^a   Al Qtaishat, Saja ^a   Taha, Mutasem O ^a  

^a UNIVERSITY OF JORDAN   (Jordan)

Author keywords

Cardiovascular diseases; In silico screening; Pharmacophore modeling; Quantitative structure activity relationship; Rho kinase II; ROCK II

Indexed keywords

BINDING ENERGY; CARDIOLOGY; COMPUTATIONAL CHEMISTRY; DIAGNOSIS; DISEASES; ENZYMES; GENETIC ALGORITHMS; LINEAR REGRESSION; MOLECULAR GRAPHICS; PHARMACODYNAMICS; STRUCTURES (BUILT OBJECTS);

BASED MODELLING; BINDING POCKETS; CARDIOVASCULAR DISEASE; IN-SILICO SCREENING; PHARMACOPHORE MODELS; PHARMACOPHORES; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; RELATIONSHIP EQUATIONS; RHO KINASE II; ROCK II;

LIGANDS;

MYOSIN LIGHT CHAIN; RHO KINASE; RHO KINASE INHIBITOR;

ARTICLE; CARDIOVASCULAR DISEASE; CONFORMATIONAL TRANSITION; CORRELATION COEFFICIENT; CRYSTAL STRUCTURE; DRUG SCREENING; DRUG STRUCTURE; ENZYME ACTIVITY; GENETIC ALGORITHM; HYDROGEN BOND; LIGAND BINDING; PHARMACOPHORE; PRIORITY JOURNAL; PROCESS OPTIMIZATION; PROTEIN PHOSPHORYLATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RECEIVER OPERATING CHARACTERISTIC;

EID: 84863109137     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-011-9509-y     Document Type: Article

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