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Article

Why amantadine loses its function in influenza m2 mutants: MD simulations.

Journal of chemical information and modeling - 1 Apr 2009

Laohpongspaisan Chittima, Rungrotmongkol Thanyada, Intharathep Pathumwadee, Malaisree Maturos, Decha Panita, Aruksakunwong Ornjira, Sompornpisut Pornthep, Hannongbua Supot

Abstract excerpt

Molecular dynamics simulations of the drug-resistant M2 mutants, A30T, S31N, and L26I, were carried out to investigate the inhibition of M2 activity using amantadine (AMT). The closed and open channel conformations were examined via non- and triply protonated H37. For the nonprotonated state, these mutants exhibited zero water density in the conducting region, and AMT was still bound to the channel pore. Thus,...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Source

Identifiers

PMID: 19281265
DOI: 10.1021/ci800267a

Genes

AMT

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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