Structural and energetic analysis of drug inhibition of the influenza A M2 proton channel

Highlights • Stable drug binding in the channel pore inhibits the influenza A M2 channel. • Mutations in M2 perturb drug binding stability. • Structural biology and molecular simulations guide drug design for mutant M2 channels. • The M2 pore-binding site can bind to inhibitors of varying sizes....

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Veröffentlicht in:Trends in pharmacological sciences (Regular ed.) 2013-10, Vol.34 (10), p.571-580
Hauptverfasser: Gu, Ruo-Xu, Liu, Limin Angela, Wei, Dong-Qing
Format: Artikel
Sprache:eng
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Zusammenfassung:Highlights • Stable drug binding in the channel pore inhibits the influenza A M2 channel. • Mutations in M2 perturb drug binding stability. • Structural biology and molecular simulations guide drug design for mutant M2 channels. • The M2 pore-binding site can bind to inhibitors of varying sizes.
ISSN:0165-6147
1873-3735
DOI:10.1016/j.tips.2013.08.003