POVME 2.0: an enhanced tool for determining pocket shape and volume characteristics

JD Durrant, L Votapka, J Sørensen… - Journal of chemical …, 2014 - ACS Publications
Analysis of macromolecular/small-molecule binding pockets can provide important insights
into molecular recognition and receptor dynamics. Since its release in 2011, the POVME …

[HTML][HTML] Recent progress on the molecular pharmacology of propofol

P Tang, R Eckenhoff - F1000Research, 2018 - ncbi.nlm.nih.gov
The precise mechanism by which propofol enhances GABAergic transmission remains
unclear, but much progress has been made regarding the underlying structural and dynamic …

Asymmetric opening of the homopentameric 5-HT3A serotonin receptor in lipid bilayers

Y Zhang, PM Dijkman, R Zou, M Zandl-Lang… - Nature …, 2021 - nature.com
Pentameric ligand-gated ion channels (pLGICs) of the Cys-loop receptor family are key
players in fast signal transduction throughout the nervous system. They have been shown to …

Seeking structural specificity: direct modulation of pentameric ligand-gated ion channels by alcohols and general anesthetics

RJ Howard, JR Trudell, RA Harris - Pharmacological reviews, 2014 - ASPET
Alcohols and other anesthetic agents dramatically alter neurologic function in a wide range
of organisms, yet their molecular sites of action remain poorly characterized. Pentameric …

Structural Elucidation of Ivermectin binding to α7nAChR and the induced channel desensitization

V Bondarenko, Q Chen, K Singewald… - ACS Chemical …, 2023 - ACS Publications
The α7 nicotinic acetylcholine receptor (α7nAChR) mediates signaling in the central nervous
system and cholinergic anti-inflammatory pathways. Ivermectin is a positive allosteric …

Ligand-dependent intramolecular motion of native nicotinic acetylcholine receptors determined in living myotube cells via diffracted X-ray tracking

K Oishi, M Nagamori, Y Kashino, H Sekiguchi… - International Journal of …, 2023 - mdpi.com
Nicotinic acetylcholine receptors (nAChRs) are ligand-gated ion channels that play an
important role in signal transduction at the neuromuscular junction (NMJ). Movement of the …

The cellular membrane as a mediator for small molecule interaction with membrane proteins

CG Mayne, MJ Arcario, P Mahinthichaichan… - … et Biophysica Acta (BBA …, 2016 - Elsevier
The cellular membrane constitutes the first element that encounters a wide variety of
molecular species to which a cell might be exposed. Hosting a large number of structurally …

Conformational changes underlying desensitization of the pentameric ligand-gated ion channel ELIC

MN Kinde, Q Chen, MJ Lawless, DD Mowrey, J Xu… - Structure, 2015 - cell.com
Structural rearrangements underlying functional transitions of pentameric ligand-gated ion
channels (pLGICs) are not fully understood. Using 19 F nuclear magnetic resonance and …

[HTML][HTML] Identification of binding sites contributing to volatile anesthetic effects on GABA type A receptors

KA Woll, X Zhou, NV Bhanu, BA Garcia… - The FASEB …, 2018 - ncbi.nlm.nih.gov
Most general anesthetics enhance GABA type A (GABA A) receptor activity at clinically
relevant concentrations. Sites of action of volatile anesthetics on the GABA A receptor …

Markov state models of proton-and pore-dependent activation in a pentameric ligand-gated ion channel

C Bergh, SA Heusser, R Howard, E Lindahl - Elife, 2021 - elifesciences.org
Ligand-gated ion channels conduct currents in response to chemical stimuli, mediating
electrochemical signaling in neurons and other excitable cells. For many channels, the …