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Related Concept Videos

Mechanically-gated Ion Channels01:12

Mechanically-gated Ion Channels

7.7K
Mechanically-gated ion channels are proteins found in eukaryotic and prokaryotic cell membranes that open in response to mechanical stress. Tension, compression, swelling, and shear stress can alter the conformation of the protein, opening a transmembrane channel that allows the passage of ions for signal transmission. In eukaryotes, mechanically-gated channels are distributed in several regions like the neurons, lungs, skin, bladder, and heart, where they play critical roles in numerous...
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Ligand-Gated Ion Channel Receptor: Gating Mechanism01:30

Ligand-Gated Ion Channel Receptor: Gating Mechanism

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Ligand-gated ion channels are transmembrane proteins that play a vital role in intercellular communication and functions of the nervous system. They allow the influx of ions across the membrane once the neurotransmitter binds, allowing the subsequent transmission of electrical excitation across the neurons. Other ligand-gated ion channels, like the γ-aminobutyric acid (GABA) receptor, permit anions like chloride into the cells on the binding of the GABA molecule. Their entry into the cell...
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Non-gated Ion Channels01:24

Non-gated Ion Channels

8.2K
Ion channels are specialized proteins on the plasma membrane that allow charged ions to pass down their electrochemical gradient. Their main function is to maintain the membrane potential which is critical for cell viability. These channels are either gated or non-gated and can transport more than a thousand ions within milliseconds for the cellular event to occur.
Compared to the gated ion channels, the non-gated channels, also known as leakage or passive channels, have no gating mechanism....
8.2K
Ligand-gated Ion Channels01:19

Ligand-gated Ion Channels

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Ligand-gated ion channels are transmembrane proteins with a channel for ions to pass through and a binding site for a ligand. The channel opens only when a ligand attaches to the binding site.
Three Subfamilies of Ligand-gated Ion Channels
Ligand-gated ion channels fall into three subfamilies. The 'Cys-loop' includes the nicotinic acetylcholine receptors, γ-aminobutyric acid (GABA), glycine, and 5-hydroxytryptamine receptors. The second one is the 'Pore-loop' channels that...
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Voltage-gated Ion Channels01:26

Voltage-gated Ion Channels

10.8K
Voltage-gated ion channels are transmembrane proteins that open and close in response to changes in the membrane potential. They are present on the membranes of all electrically excitable cells such as neurons, heart, and muscle cells.
Generally, all voltage-gated ion channels have a 'voltage-sensing domain' that spans the lipid bilayer. The charged residues in the sensor move in response to the membrane potential changes that open the channel allowing ions movement. There are several types of...
10.8K
G-Protein Gated Ion Channels01:21

G-Protein Gated Ion Channels

5.7K
GPCRs are primarily responsible for our sense of smell, taste, and vision.  The binding of a sensory stimulus activates GPCR to stimulate effector proteins, many of which are ion channels in the sensory organs. GPCRs modulate the opening and closing of the target ion channels either directly by binding them, or by releasing second messengers that activate these channels. As ions move across the membrane, the membrane potential is altered, which induces an appropriate response.
Sensory...
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Updated: Jan 30, 2026

Deciphering the Structural Effects of Activating EGFR Somatic Mutations with Molecular Dynamics Simulation
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Deciphering the Structural Effects of Activating EGFR Somatic Mutations with Molecular Dynamics Simulation

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Understanding Ion Channel Gating Mechanisms by Molecular Dynamics Simulations.

Meng Cui1,2, Yongcheng Lu3, Diomedes E Logothetis4,5,6,7,8

  • 1Department of Pharmaceutical Sciences, School of Pharmacy and Pharmaceutical Sciences, Bouvé College of Health Sciences, Northeastern University, Boston, MA, USA. m.cui@northeastern.edu.

Advances in Experimental Medicine and Biology
|January 28, 2026
PubMed
Summary
This summary is machine-generated.

Recent breakthroughs in cryo-electron microscopy and computational power enable detailed molecular dynamics (MD) simulations. These simulations, termed Gating (GMD) simulations, reveal ion channel gating and permeation mechanisms, advancing structure-based drug discovery.

Keywords:
Conformational changesElectrostatic potentialGIRK channel, cholesterol, MD simulationsInteraction network analysisIon channel activationProtein-ligand interactions

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Area of Science:

  • Membrane protein structural biology
  • Computational biophysics
  • Pharmacology

Background:

  • Atomic resolution 3D cryo-electron microscopy structures of membrane proteins, including ion channels, have been determined.
  • In silico methods allow studying drug-induced conformational changes in proteins.
  • Advancements in computational power enable simulations of protein dynamics across various timescales.

Purpose of the Study:

  • To review discoveries from Gating Molecular Dynamics (GMD) simulations in understanding ion channel activation.
  • To highlight the role of GMD in advancing structure-based drug discovery for ion channels.
  • To elucidate the mechanisms of ion channel gating and ion permeation.

Main Methods:

  • Utilizing molecular dynamics (MD) simulations, specifically Gating MD (GMD), to observe protein dynamics.
  • Simulating ion permeation through ion channels during gating events.
  • Analyzing structural and dynamic changes in ion channels.

Main Results:

  • GMD simulations capture ion permeation and gating mechanisms of ion channel proteins.
  • Simulations reveal insights into the biological mechanisms of ion channel activation by PIP2 and other gating molecules.
  • These findings facilitate structure-based drug discovery for ion channels.

Conclusions:

  • GMD simulations provide unprecedented understanding of ion channel activation mechanisms.
  • Structure-based drug discovery for ion channels is significantly advanced by these simulation techniques.
  • Further research utilizing GMD will continue to uncover critical biological insights.