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Updated: Jul 3, 2026

Ligand Nano-cluster Arrays in a Supported Lipid Bilayer
10:34

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Published on: April 23, 2017

Cellular interaction through LewisX cluster: theoretical studies.

Yun Luo1, Florent Barbault, Chafika Gourmala

  • 1ITODYS, CNRS UMR 7086, Université Paris Diderot, 1 rue Guy de la Brosse, 75005, Paris, France.

Journal of Molecular Modeling
|July 12, 2008
PubMed
Summary
This summary is machine-generated.

LewisX-LewisX (LeX-LeX) interactions are crucial for cell adhesion. Molecular modeling reveals calcium ions stabilize LeX-LeX dimers, offering insights into cell communication and development.

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Last Updated: Jul 3, 2026

Ligand Nano-cluster Arrays in a Supported Lipid Bilayer
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Published on: April 23, 2017

Measuring Transcellular Interactions through Protein Aggregation in a Heterologous Cell System
04:47

Measuring Transcellular Interactions through Protein Aggregation in a Heterologous Cell System

Published on: May 22, 2020

Area of Science:

  • Glycobiology
  • Molecular modeling
  • Biophysics

Background:

  • Cell surface carbohydrates, like LewisX (LeX) glycosphingolipids, are vital for cell-cell adhesion and communication.
  • LeX-LeX homotypic interactions are implicated in early cell adhesion, embryogenesis, and metastasis.
  • Limited data exists on the precise geometry and dimerization mechanisms of LeX-LeX interactions.

Purpose of the Study:

  • To investigate the geometry and energetics of homotypic LewisX-LewisX (LeX-LeX) interactions.
  • To elucidate the role of calcium ions in LeX-LeX dimer formation and stability.
  • To provide molecular-level insights into carbohydrate-carbohydrate interactions.

Main Methods:

  • Development of a novel molecular model for simulating LeX-LeX interactions.
  • Simulations conducted in explicit solvent, with and without calcium ions.
  • Analysis of simulation trajectories focusing on energetics, hydrogen bonding, and calcium ion presence.

Main Results:

  • The study provides accurate energetic data for LeX-LeX dimerisation.
  • Detailed analysis of hydrogen bond networks reveals key stabilizing interactions.
  • The presence and role of calcium ions in mediating and stabilizing LeX-LeX dimers were elucidated.

Conclusions:

  • Molecular modeling offers valuable insights into the energetics and mechanisms of LeX-LeX dimerisation.
  • Calcium ions play a significant role in stabilizing carbohydrate-carbohydrate interactions.
  • Findings enhance understanding of cell adhesion, embryogenesis, and metastasis mechanisms.