Flipping in the pore: Discovery of dual inhibitors that bind in different orientations to the wild-type versus the amantadine-resistant s31n mutant of the influenza a virus m2 proton channel

Journal of the American Chemical Society

Volumn 136, Issue 52, 2014, Pages 17987-17995

  Wu, Yibing ^a   Canturk, Belgin ^b   Jo, Hyunil ^a   Ma, Chunlong ^e   Gianti, Eleonora ^d   Klein, Michael L ^d   Pinto, Lawrence H ^c   Lamb, Robert A ^c   Fiorin, Giacomo ^d   Wang, Jun ^e   Degrado, William F ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF PENNSYLVANIA   (United States)

^c NORTHWESTERN UNIVERSITY   (United States)

^d Temple University   (United States)

^e UNIVERSITY OF ARIZONA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; ANTIVIRAL AGENTS; AROMATIC COMPOUNDS; DESIGN; FACINGS; FLIP FLOP CIRCUITS; MOLECULAR DYNAMICS;

ACTIVE COMPOUNDS; ANTI-VIRAL DRUGS; ANTIVIRAL ACTIVITIES; DRUG DEVELOPMENT; INFLUENZA A VIRUS; MOLECULAR DYNAMICS SIMULATIONS; RATIONAL DESIGN; STRUCTURE-ACTIVITY RELATIONSHIPS;

VIRUSES;

AMANTADINE; ANTIVIRUS AGENT; N[(5 BROMOTHIOPHEN 2 YL)METHYL]ADAMANTAN 1 AMINE; UNCLASSIFIED DRUG; PROTEIN BINDING; PROTON PUMP; PROTON PUMP INHIBITOR; THIOPHENE DERIVATIVE;

ANTIVIRAL ACTIVITY; ARTICLE; DRUG BINDING; DRUG POTENCY; INFLUENZA VIRUS A; MOLECULAR DYNAMICS; NONHUMAN; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; STRUCTURE ACTIVITY RELATION; ANIMAL; ANTIVIRAL RESISTANCE; CHEMISTRY; DOG; DRUG DEVELOPMENT; DRUG EFFECTS; GENETICS; INFLUENZA A VIRUS; MDCK CELL LINE; METABOLISM; MUTATION; POROSITY; PROTEIN CONFORMATION;

AMANTADINE; ANIMALS; DOGS; DRUG DISCOVERY; DRUG RESISTANCE, VIRAL; INFLUENZA A VIRUS; MADIN DARBY CANINE KIDNEY CELLS; MOLECULAR DYNAMICS SIMULATION; MUTATION; POROSITY; PROTEIN BINDING; PROTEIN CONFORMATION; PROTON PUMP INHIBITORS; PROTON PUMPS; STRUCTURE-ACTIVITY RELATIONSHIP; THIOPHENES;

EID: 84920163405     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja508461m     Document Type: Article

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