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Article

Functional dynamics and allosteric modulation of TRPA1.

Structure (London, England : 1993) - 7 Dec 2023

Koldsø Heidi, Jensen Morten Ø, Jogini Vishwanath, Shaw David E

Abstract excerpt

The cation channel TRPA1 is a potentially important drug target, and characterization of TRPA1 functional dynamics might help guide structure-based drug design. Here, we present results from long-timescale molecular dynamics simulations of TRPA1 with an allosteric activator, allyl isothiocyanate (AITC), in which we observed spontaneous transitions from a closed, non-conducting channel conformation into an open,...

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Identifiers

PMID: 37729917
DOI: 10.1016/j.str.2023.08.018

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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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