ArticlePloS one2011
Concentration dependent ion selectivity in VDAC: a molecular dynamics simulation study.
Article in PloS one, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed, 28 citations in OpenAlex.
- Molecular mechanism of thiamine pyrophosphate import into mitochondria: a molecular simulation study.Journal of computer-aided molecular design · 2021Article
- The Open State Selectivity of the Bean Seed VDAC Depends on Stigmasterol and Ion Concentration.International journal of molecular sciences · 2021Article
- Regulation of Single-Channel Conductance of Voltage-Dependent Anion Channel by Mercuric Chloride in a Planar Lipid Bilayer.The Journal of membrane biology · 2020Article
- Nanopore Fabrication and Application as Biosensors in Neurodegenerative Diseases.Critical reviews in biomedical engineering · 2020Review
- Article
- Transport and Use of Bicarbonate in Plants: Current Knowledge and Challenges Ahead.International journal of molecular sciences · 2018Review
- Solid-state NMR, electrophysiology and molecular dynamics characterization of human VDAC2.Journal of biomolecular NMR · 2015Article
- Dual mechanism of ion permeation through VDAC revealed with inorganic phosphate ions and phosphate metabolites.PloS one · 2015Article
- Computational investigation of cholesterol binding sites on mitochondrial VDAC.The journal of physical chemistry. B · 2014Article
- Markov chain Monte Carlo based analysis of post-translationally modified VDAC gating kinetics.Frontiers in physiology · 2014Article
- Article
- Modeling and simulation of ion channels.Chemical reviews · 2012Review
- Article
Corrections and comments
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The voltage-dependent anion channel (VDAC) forms the major pore in the outer mitochondrial membrane. Its high conducting open state features a moderate anion selectivity. There is some evidence indicating that the electrophysiological properties of VDAC vary with the salt concentration. Using a theoretical approach the molecular basis for this concentration dependence was investigated. Molecular dynamics simulations and continuum electrostatic calculations performed on the mouse VDAC1 isoform clearly demonstrate that the distribution of fixed charges in the channel creates an electric field, which determines the anion preference of VDAC at low salt concentration. Increasing the salt concentration in the bulk results in a higher concentration of ions in the VDAC wide pore. This event induces a large electrostatic screening of the charged residues promoting a less anion selective channel. Residues that are responsible for the electrostatic pattern of the channel were identified using the molecular dynamics trajectories. Some of these residues are found to be conserved suggesting that ion permeation between different VDAC species occurs through a common mechanism. This inference is buttressed by electrophysiological experiments performed on bean VDAC32 protein akin to mouse VDAC.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.