Molecular modeling studies of pyridopurinone derivatives-Potential phosphodiesterase 5 inhibitors

Journal of Molecular Graphics and Modelling

Volumn 26, Issue 1, 2007, Pages 378-390

  Srivani, P ^a   Srinivas, E ^a   Raghu, R ^b   Sastry, G Narahari ^a  

^a INDIAN INSTITUTE OF CHEMICAL TECHNOLOGY   (India)

^b SCHRÖDINGER INC   (United States)

Author keywords

CODESSA; CoMFA; CoMSIA; Docking; PDE5

Indexed keywords

HEURISTIC METHODS; KETONES; LINEAR REGRESSION; MOLECULAR DYNAMICS; STATISTICAL METHODS;

BEST MULTI LINEAR REGRESSION (BMLR) METHODS; COMPARATIVE MOLECULAR FIELD ANALYSIS (COMFA); COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS (COMSIA); QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP (QSAR);

ENZYME INHIBITION;

DOCKING PROTEIN; PHOSPHODIESTERASE V INHIBITOR; PURINE DERIVATIVE; PYRIDONE DERIVATIVE;

ARTICLE; ENZYME ACTIVE SITE; ENZYME ACTIVITY; ENZYME INHIBITOR INTERACTION; ERECTILE DYSFUNCTION; INHIBITION KINETICS; INTERMETHOD COMPARISON; LINEAR REGRESSION ANALYSIS; MOLECULAR MODEL; PREDICTIVE VALIDITY; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SEQUENCE HOMOLOGY; STATISTICAL ANALYSIS; STATISTICAL MODEL; STATISTICAL SIGNIFICANCE; STRUCTURE ANALYSIS; TECHNIQUE; THREE DIMENSIONAL IMAGING;

3',5'-CYCLIC-GMP PHOSPHODIESTERASE; CATALYTIC DOMAIN; COMPUTER SIMULATION; DATABASES, FACTUAL; ELECTROSTATICS; LEAST-SQUARES ANALYSIS; LIGANDS; MODELS, MOLECULAR; PHOSPHODIESTERASE INHIBITORS; PROTEIN CONFORMATION; PURINONES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 34347257750     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2007.01.007     Document Type: Article

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