Structural mechanisms of transient receptor potential ion channels

E Cao - Journal of General Physiology, 2020 - rupress.org
Transient receptor potential (TRP) ion channels are evolutionarily ancient sensory proteins
that detect and integrate a wide range of physical and chemical stimuli. TRP channels are …

Insights from molecular dynamics simulations of TRPV1 channel modulators in pain

V Dewaker, AR Sharma, U Debnath, ST Park… - Drug Discovery …, 2023 - Elsevier
TRPV1 is a nonselective cation channel vital for detecting noxious stimuli (heat, acid,
capsaicin). Its role in pain makes it a potential drug target for chronic pain management …

The conformational wave in capsaicin activation of transient receptor potential vanilloid 1 ion channel

F Yang, X Xiao, BH Lee, S Vu, W Yang… - Nature …, 2018 - nature.com
The capsaicin receptor TRPV1 has been intensively studied by cryo-electron microscopy
and functional tests. However, though the apo and capsaicin-bound structural models are …

Ion-dependent structure, dynamics, and allosteric coupling in a non-selective cation channel

A Lewis, V Kurauskas, M Tonelli… - Nature …, 2021 - nature.com
The selectivity filter (SF) determines which ions are efficiently conducted through ion
channel pores. NaK is a non-selective cation channel that conducts Na+ and K+ with equal …

Ion channel sensing: are fluctuations the crux of the matter?

MA Kasimova, A Yazici, Y Yudin… - The journal of …, 2018 - ACS Publications
The nonselective cation channel TRPV1 is responsible for transducing noxious stimuli into
action potentials propagating through peripheral nerves. It is activated by temperatures …

Heat activation mechanism of TRPV1: New insights from molecular dynamics simulation

W Zheng, H Wen - Temperature, 2019 - Taylor & Francis
As a member of the transient receptor potential (TRP) channels superfamily, the TRPV1
channel undergoes a closed-to-open gating transition in response to various physical and …

Ion permeation mechanism in epithelial calcium channel TRVP6

S Sakipov, AI Sobolevsky, MG Kurnikova - Scientific Reports, 2018 - nature.com
Calcium is the most abundant metal in the human body that plays vital roles as a cellular
electrolyte as well as the smallest and most frequently used signaling molecule. Calcium …

Permeant cations modulate pore dynamics and gating of TRPV1 ion channels

M García-Ávila, J Tello-Marmolejo… - Journal of General …, 2023 - rupress.org
The transient receptor vanilloid 1 (TRPV1) is a non-selective ion channel, which is activated
by several chemical ligands and heat. We have previously shown that activation of TRPV1 …

Exploring high‐dimensional free energy landscapes of chemical reactions

S Awasthi, NN Nair - Wiley Interdisciplinary Reviews …, 2019 - Wiley Online Library
Molecular dynamics (MD) techniques are widely used in computing free energy changes for
conformational transitions and chemical reactions, mainly in condensed matter systems …

The mechanism and energetics of a ligand-controlled hydrophobic gate in a mammalian two pore channel

S Milenkovic, IV Bodrenko, L Lagostena… - Physical Chemistry …, 2020 - pubs.rsc.org
In the last decade two-pore intracellular channels (TPCs) attracted the interest of
researchers, still some key questions remain open. Their importance for vacuolar (plants) …