Molecular dynamics simulation directed rational design of inhibitors targeting drug-resistant mutants of influenza A virus M2

Journal of the American Chemical Society

Volumn 133, Issue 32, 2011, Pages 12834-12841

  Wang, Jun ^a   Ma, Chunlong ^d   Fiorin, Giacomo ^b   Carnevale, Vincenzo ^b   Wang, Tuo ^c   Hu, Fanghao ^c   Lamb, Robert A ^d   Pinto, Lawrence H ^d   Hong, Mei ^c   Klein, Michael L ^b   Degrado, William F ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b Temple University   (United States)

^c IOWA STATE UNIVERSITY   (United States)

^d NORTHWESTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMANTADINE; ANTI-VIRAL DRUGS; DRUG BINDING; DRUG TARGETS; EXPERIMENTAL STUDIES; HIGH THROUGHPUT SCREENING; INFLUENZA A VIRUS; MD SIMULATION; MEDICINAL CHEMISTRY; MOLECULAR DYNAMICS SIMULATIONS; RATIONAL DESIGN; RIMANTADINE; SELECTION PRESSURES; SELECTIVE CHANNELS; SMALL MOLECULE INHIBITOR;

AMINES; BINDING SITES; VIRUSES;

MOLECULAR DYNAMICS;

AMANTADINE;

ANIMAL CELL; ANTIVIRAL RESISTANCE; ARTICLE; CONTROLLED STUDY; DRUG BINDING; DRUG POTENCY; DRUG TARGETING; FEMALE; IC 50; INFLUENZA VIRUS A; MOLECULAR DYNAMICS; NONHUMAN; SIMULATION; VIRUS MUTANT; VIRUS PLAQUE; WILD TYPE;

ANTIVIRAL AGENTS; DRUG DESIGN; DRUG RESISTANCE, VIRAL; HUMANS; INFLUENZA A VIRUS; INFLUENZA, HUMAN; MOLECULAR DYNAMICS SIMULATION; VIRAL MATRIX PROTEINS; VIRAL PLAQUE ASSAY;

EID: 80051595050     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja204969m     Document Type: Article

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