Structural information and computational methods used in design of neuraminidase inhibitors

Current Computer-Aided Drug Design

Volumn 3, Issue 2, 2007, Pages 113-132

  Sangma, Chak ^a   Hannongbua, Supa ^a  

^a KASETSART UNIVERSITY   (Thailand)

Author keywords

H5N1; MD simulations; Molecular docking; Neuraminidase inhibitors; QSAR; Quantum chemical calculations; Virtual screening

Indexed keywords

COMPUTATIONAL CHEMISTRY; DRUG THERAPY; QUANTUM CHEMISTRY;

AVIAN INFLUENZA; MD SIMULATION; MOLECULAR DOCKING; NEURAMINIDASE; NEURAMINIDASE INHIBITORS; QSAR; QUANTUM CHEMICAL CALCULATIONS; QUANTUM-CHEMICAL CALCULATION; STRUCTURAL INFORMATION; VIRTUAL SCREENING;

VIRUSES;

1 PHENOXYMETHYL 3,4 DIHYDROISOQUINOLINE DERIVATIVE; 1 [4 CARBOXY 2 (3 PENTYLAMINO)PHENYL] 5 AMINOMETHYL 5 HYDROXYMETHYLPYRROLIDIN 2 ONE; 4 ACETAMIDO 5 AMINO 3 (1 ETHYLPROPOXY) 1 CYCLOHEXENE 1 CARBOXYLIC ACID; 4 DEOXY 2,3 DIDEHYDRO N ACETYLNEURAMINIC ACID; 4,9 AMINO 2,4 DEOXY 2,3 DEHYDRO N ACETYLNEURAMINIC ACID; 5 [1 (ACETYLAMINO) 3 METHYLBUTYL] 4 (METHOXYCARBONYL)PROLINE; 9 AMINO 2 DEOXY 2,3 DEHYDRO N NEURAMINIC ACID; ANTIVIRUS AGENT; ARGININE; CATECHOL DERIVATIVE; CYCLOPENTANE AMIDE DERIVATIVE; DIHYDROPYRANPHENETHYLPROPYLCARBOXAMIDE; HERBACEOUS AGENT; LYSINE; OSELTAMIVIR; PERAMIVIR; POLYPHENOL DERIVATIVE; PYRROLIDINE DERIVATIVE; SIALIC ACID; SIALIC ACID DERIVATIVE; SIALIDASE INHIBITOR; ST 1; ST 2; ST 3; ST 4; ST 5; ST 6; UNCLASSIFIED DRUG; UNINDEXED DRUG; VIRUS SIALIDASE; ZANAMIVIR;

AB INITIO CALCULATION; AVIAN INFLUENZA; COMPUTER AIDED DESIGN; DRUG APPROVAL; DRUG DESIGN; DRUG PROTEIN BINDING; DRUG SCREENING; DRUG STRUCTURE; DRUG SYNTHESIS; DRUG TARGETING; ENZYME INHIBITION; GENE MUTATION; GENETIC CODE; HUMAN; INFLUENZA VIRUS; MATHEMATICAL MODEL; MUTATIONAL ANALYSIS; NONHUMAN; PANDEMIC; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REVIEW; VIRUS GENE; VIRUS RESISTANCE; VIRUS STRAIN;

EID: 34250335685     PISSN: 15734099     EISSN: None     Source Type: Journal    
DOI: 10.2174/157340907780809525     Document Type: Review

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