Multiple pharmacophore models combined with molecular docking: A reliable way for efficiently identifying novel pde4 inhibitors with high structural diversity

Journal of Chemical Information and Modeling

Volumn 50, Issue 4, 2010, Pages 615-625

  Chen, Zhi ^a   Tian, Guanghui ^a   Wang, Zhen ^a   Jiang, Hualiang ^a,b   Shen, Jingshan ^a   Zhu, Weiliang ^a,b  

^a SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

^b EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DATABASE SYSTEMS; LIGANDS; MOLECULAR MODELING; SCAFFOLDS;

DATABASE SCREENINGS; LIGAND-RECEPTOR COMPLEX; MOLECULAR DOCKING; PHARMACOPHORE MODELING; PHARMACOPHORE MODELS; PHOSPHODIESTERASE-4; SIMILARITY SEARCH; STRUCTURAL DIVERSITY;

PHARMACODYNAMICS;

ENZYME INHIBITOR; PHOSPHODIESTERASE IV;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER INTERFACE; CONFORMATION; DRUG ANTAGONISM; DRUG DEVELOPMENT; FACTUAL DATABASE; METABOLISM; METHODOLOGY; REPRODUCIBILITY;

CYCLIC NUCLEOTIDE PHOSPHODIESTERASES, TYPE 4; DATABASES, FACTUAL; DRUG DISCOVERY; ENZYME INHIBITORS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; REPRODUCIBILITY OF RESULTS; USER-COMPUTER INTERFACE;

EID: 77952001380     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci9004173     Document Type: Article

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