ArticlePLoS computational biology2017
Atomistic fingerprint of hyaluronan-CD44 binding.
Article in PLoS computational biology, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 29 papers.
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Who cites it
29 citing papers in PubMed, 56 citations in OpenAlex.
- Encoding Cell-Surface Receptor Function Through Glycosylation: Lessons From CD44.Chembiochem : a European journal of chemical biology · 2026Review
- Multifaceted roles of CD44 in cancer progression and targeted therapeutic strategies.Experimental & molecular medicine · 2026Review
- From matrix to nucleus: CD44 as a central regulator of inflammaging, autophagy, and tissue homeostasis.Biogerontology · 2026Review
- Transient formation of supramolecular complexes between hyaluronan and oligopeptides at submicromolar concentration.Communications chemistry · 2026Article
- Innate immune system for a crosstalk of sperm-egg-uterine epithelium towards fertility: Toll-like receptor 2 as a physiological sensor.The Journal of reproduction and development · 2026Review
- Microenvironment-responsive size-adaptive nanoparticles: hyaluronidase/acid/NIR light activation for deep-penetration trimodal therapy.Materials today. Bio · 2025Article
- Hyaluronic Acid-Modified N,N,N-trimethyl Chitosan-Poly (β-Aamino Ester) Nanocarriers Loaded with miR210 for Targeted Inhibition of Renal Fibrosis.Tissue engineering and regenerative medicine · 2025Article
- Article
- Molecular flexibility of hyaluronic acid has a profound effect on invasion of cancer cells.Royal Society open science · 2025Article
- Extending the Martini 3 Coarse-Grained Force Field to Hyaluronic Acid.The journal of physical chemistry. B · 2025Article
- Decrypting Glycosaminoglycan "sulfation code" with Computational Approaches.Handbook of experimental pharmacology · 2025Review
- Article
- Molecular Dynamics Simulations Reveal Octanoylated Hyaluronic Acid Enhances Liposome Stability, Stealth and Targeting.ACS omega · 2024Article
- Benchmarking Water Models in Molecular Dynamics of Protein-Glycosaminoglycan Complexes.Journal of chemical information and modeling · 2024Article
- Sperm hyperactivation in the uterus and oviduct: a double-edged sword for sperm and maternal innate immunity toward fertility.Animal reproduction · 2024Review
- Hyaluronan and Reactive Oxygen Species Signaling-Novel Cues from the Matrix?Antioxidants (Basel, Switzerland) · 2023Review
- Moderate Constraint Facilitates Association and Force-Dependent Dissociation of HA-CD44 Complex.International journal of molecular sciences · 2023Article
- Hyaluronan regulates sperm-induced inflammatory response by enhancing sperm attachment to bovine endometrial epithelial cellsFrontiers in endocrinology · 2023Article
- Atomic-Resolution Experimental Structural Biology and Molecular Dynamics Simulations of Hyaluronan and Its Complexes.Molecules (Basel, Switzerland) · 2022Review
- Management of osteoarthritis: From drug molecules to nano/micromedicines.Wiley interdisciplinary reviews. Nanomedicine and nanobiotechnology · 2022Review
Corrections and comments
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Authors and funding
3 authors at 2 institutions in 3 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Hyaluronan is a polyanionic, megadalton-scale polysaccharide, which initiates cell signaling by interacting with several receptor proteins including CD44 involved in cell-cell interactions and cell adhesion. Previous studies of the CD44 hyaluronan binding domain have identified multiple widespread residues to be responsible for its recognition capacity. In contrast, the X-ray structural characterization of CD44 has revealed a single binding mode associated with interactions that involve just a fraction of these residues. In this study, we show through atomistic molecular dynamics simulations that hyaluronan can bind CD44 with three topographically different binding modes that in unison define an interaction fingerprint, thus providing a plausible explanation for the disagreement between the earlier studies. Our results confirm that the known crystallographic mode is the strongest of the three binding modes. The other two modes represent metastable configurations that are readily available in the initial stages of the binding, and they are also the most frequently observed modes in our unbiased simulations. We further discuss how CD44, fostered by the weaker binding modes, diffuses along HA when attached. This 1D diffusion combined with the constrained relative orientation of the diffusing proteins is likely to influence the aggregation kinetics of CD44. Importantly, CD44 aggregation has been suggested to be a possible mechanism in CD44-mediated signaling.
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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.