Virtual screening pipeline and ligand modelling for H5N1 neuraminidase

Biochemical and Biophysical Research Communications

Volumn 383, Issue 4, 2009, Pages 445-449

  D'Ursi, Pasqualina ^a   Chiappori, Federica ^a,b   Merelli, Ivan ^a   Cozzi, Paolo ^a,c   Rovida, Ermanna ^a   Milanesi, Luciano ^a  

^a CNR   (Italy)

^b Sezione Gestione dei Sistemi   (Italy)

^c UNIVERSITY OF MILAN   (Italy)

Author keywords

150 cavity; Data filtering; Docking; Drug design; H5N1 neuraminidase; Neuraminidase inhibitors; Virtual screening pipeline

Indexed keywords

2 [(4 AMINO 5 CYCLOPROPYL 1,2,4 TRIAZOL 3 YL)SULFANYL] N (CYCLOPENTYLCARBAMOYL)ACETAMIDE; 6 [2 [[2 (2 CYANOPYRROLIDIN 1 YL) 2 OXOETHYL]AMINO]ETHYLAMINO]PYRIDINE 3 CARBONITRILE; CID 2601775; CID 9796290; LIGAND; OSELTAMIVIR; OSELTAMIVIR DERIVATIVE; SIALIDASE; SIALIDASE INHIBITOR; UNCLASSIFIED DRUG; VIRUS ENZYME; ZANAMIVIR;

ARTICLE; BINDING AFFINITY; CRYSTAL STRUCTURE; DRUG DESIGN; DRUG SCREENING; DRUG TARGETING; ENZYME INHIBITION; INFLUENZA; INFLUENZA VIRUS A H5N1; MOLECULAR DOCKING; MOLECULAR MODEL; NONHUMAN; PRIORITY JOURNAL; PROTEIN STRUCTURE; VIRTUAL SCREENING PIPELINE; VIRUS INFECTION;

ANTIVIRAL AGENTS; CATALYTIC DOMAIN; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; ENZYME INHIBITORS; INFLUENZA A VIRUS, H5N1 SUBTYPE; LIGANDS; MODELS, CHEMICAL; NEURAMINIDASE;

EID: 67349108724     PISSN: 0006291X     EISSN: 10902104     Source Type: Journal    
DOI: 10.1016/j.bbrc.2009.04.030     Document Type: Article

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