3D QSAR and docking study of flavone derivatives as potent inhibitors of influenza H1N1 virus neuraminidase

Bioorganic and Medicinal Chemistry Letters

Volumn 21, Issue 19, 2011, Pages 5964-5970

  Gao, Li ^a   Zu, Mian ^a   Wu, Song ^a   Liu, Ai Lin ^a   Du, Guan Hua ^a  

^a INSTITUTE OF MATERIA MEDICA   (China)

Author keywords

3D QSAR; Docking; Flavone derivatives; Inhibitor; Neuraminidase

Indexed keywords

FLAVONE DERIVATIVE; SIALIDASE; SIALIDASE INHIBITOR;

ARTICLE; CRYSTAL STRUCTURE; DRUG DESIGN; DRUG POTENCY; ENZYME INHIBITION; HYDROGEN BOND; HYDROPHOBICITY; INFLUENZA VIRUS A H1N1; MOLECULAR DOCKING; MOLECULAR INTERACTION; NONHUMAN; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ANTIVIRAL AGENTS; COMPUTER SIMULATION; DRUG DESIGN; ENZYME INHIBITORS; FLAVONES; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; INFLUENZA A VIRUS, H1N1 SUBTYPE; INHIBITORY CONCENTRATION 50; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR TARGETED THERAPY; NEURAMINIDASE; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOFTWARE; STATIC ELECTRICITY;

EID: 80052595148     PISSN: 0960894X     EISSN: 14643405     Source Type: Journal    
DOI: 10.1016/j.bmcl.2011.07.071     Document Type: Article

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