ArticleJournal of molecular modeling2008
Cellular interaction through LewisX cluster: theoretical studies.
Article in Journal of molecular modeling, 2008. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
4 citing papers in PubMed, 24 citations in OpenAlex.
- Glycan-to-Glycan Binding: Molecular Recognition through Polyvalent Interactions Mediates Specific Cell Adhesion.Molecules (Basel, Switzerland) · 2021Review
- Molecular modeling study of the induced-fit effect on kinase inhibition: the case of fibroblast growth factor receptor 3 (FGFR3).Journal of computer-aided molecular design · 2015Article
- Diarylaniline derivatives as a distinct class of HIV-1 non-nucleoside reverse transcriptase inhibitors.Journal of medicinal chemistry · 2010Article
- Adsorption of CO on Cu (110) and (100) surfaces using COSMO-based DFT.Journal of molecular modeling · 2009Article
Corrections and comments
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Authors and funding
7 authors at 5 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
It is well known that cell surface carbohydrates play a role in cell-cell adhesion and communication. LewisX glycosphingolipids form microdomains on cell surfaces. Homotypic and calcium-mediated LewisX-LewisX (LeX-LeX) interactions were proposed to be responsible for the initial steps of cell adhesion, and to mediate embryogenesis and metastasis. Various techniques have been used to investigate such interactions, but little information is available on the geometry and the mechanism of dimerisation. To better understand these interactions, a new molecular model was developed to simulate homotypic interactions in explicit solvent with and without calcium ions. Accurate analysis of both trajectories yielded valuable information about the energetics of LeX-LeX dimerisation. Detailed interpretation of the hydrogen bond network and the presence of calcium ions along the trajectory provide valuable insights into the role of calcium ions in this carbohydrate-carbohydrate interaction.
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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.