Evidence map›Paper›PMID 30942512›Full record

ArticleAngewandte Chemie (International ed. in English)2019

Minimizing the Entropy Penalty for Ligand Binding: Lessons from the Molecular Recognition of the Histo Blood-Group Antigens by Human Galectin-3.

Ana Gimeno, Sandra Delgado, Pablo Valverde, Sara Bertuzzi, Manuel Alvaro Berbís, Javier Echavarren, Alessandra Lacetera, Sonsoles Martín-Santamaría, Avadhesha Surolia, Francisco Javier Cañada and 2 more

Open access · hybridAbstract read
In one paragraph

Article in Angewandte Chemie (International ed. in English), 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 39 papers.

0numbers the graph read from it
0cells of the map it votes in
39citing papers in PubMed
4.2field-weighted citation impact, top 5% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

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.

2 · The registry

The trial behind it

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.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

39 citing papers in PubMed, 73 citations in OpenAlex.

  1. Decoding Galectin-Glycan Recognition withJournal of the American Chemical Society · 2026
    Article
  2. Article
  3. Article
  4. Gut microbes · 2025
    Article
  5. Article
  6. Article
  7. Article
  8. Dissecting the Conformational Stability of a Glycan Hairpin.Journal of the American Chemical Society · 2024
    Article
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  11. Review
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  18. Review
  19. Article
  20. SelectiveAngewandte Chemie (International ed. in English) · 2021
    Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

12 authors at 4 institutions in 2 countries.

Ana GimenoCIC bioGUNE, Bizkaia Technology Park, Building 800, 48160 Derio, Bizkaia, Spain.ORCID 0000-0001-9668-2605
Sandra DelgadoCIC bioGUNE, Bizkaia Technology Park, Building 800, 48160 Derio, Bizkaia, Spain.
Pablo ValverdeCIC bioGUNE, Bizkaia Technology Park, Building 800, 48160 Derio, Bizkaia, Spain.
Sara BertuzziCIC bioGUNE, Bizkaia Technology Park, Building 800, 48160 Derio, Bizkaia, Spain.
Manuel Alvaro BerbísCentro de Investigaciones Biológicas-CSIC, Ramiro de Maeztu 9, 28040, Madrid, Spain.
Javier EchavarrenCentro de Investigaciones Biológicas-CSIC, Ramiro de Maeztu 9, 28040, Madrid, Spain.
Alessandra LaceteraCentro de Investigaciones Biológicas-CSIC, Ramiro de Maeztu 9, 28040, Madrid, Spain.
Sonsoles Martín-SantamaríaCentro de Investigaciones Biológicas-CSIC, Ramiro de Maeztu 9, 28040, Madrid, Spain.
Avadhesha SuroliaIndian Institute of Science, Bangalore-, 560012, India.
Francisco Javier CañadaCentro de Investigaciones Biológicas-CSIC, Ramiro de Maeztu 9, 28040, Madrid, Spain.
Jesus Jiménez-BarberoCIC bioGUNE, Bizkaia Technology Park, Building 800, 48160 Derio, Bizkaia, Spain.ORCID 0000-0001-5421-8513
Ana ArdáCIC bioGUNE, Bizkaia Technology Park, Building 800, 48160 Derio, Bizkaia, Spain.ORCID 0000-0003-3027-7417
Centro de Investigaciones Biológicas Margarita Salas · ESCIC bioGUNE · ESIkerbasque · ESIndian Institute of Science Bangalore · IN

Funding

TISSUE STRAIN AND ELASTICITY THROUGH SPECKLE MOTIONP01CA064597 · NCI · UNIVERSITY OF TEXAS HLTH SCI CTR HOUSTON · PI OPHIR, JONATHAN · 1994 to 2002
$4.1M
Agencia Estatal de Investigación CTQ2014-57141-RAgencia Estatal de Investigación CTQ2015-64597-C2-1PAgencia Estatal de Investigación CTQ2015-64597-C2-2PH2020 European Research Council Advanced Grant no. 788143Instituto de Salud Carlos III PRB3 IPT17/0019 - ISCIII-SGEFI/ERDFMinisterio de Economía, Industria y Competitividad, Gobierno de España RYC-2014-15969Ministerio de Economía, Industria y Competitividad, Gobierno de España Severo Ochoa EXcellence Accrediation
6 · The paper itself

Abstract

Ligand conformational entropy plays an important role in carbohydrate recognition events. Glycans are characterized by intrinsic flexibility around the glycosidic linkages, thus in most cases, loss of conformational entropy of the sugar upon complex formation strongly affects the entropy of the binding process. By employing a multidisciplinary approach combining structural, conformational, binding energy, and kinetic information, we investigated the role of conformational entropy in the recognition of the histo blood-group antigens A and B by human galectin-3, a lectin of biomedical interest. We show that these rigid natural antigens are pre-organized ligands for hGal-3, and that restriction of the conformational flexibility by the branched fucose (Fuc) residue modulates the thermodynamics and kinetics of the binding process. These results highlight the importance of glycan flexibility and provide inspiration for the design of high-affinity ligands as antagonists for lectins.

Indexed as

EntropyThermodynamicsBinding SitesBlood Group AntigensBlood ProteinsCrystallography, X-RayFucoseGalectin 3GalectinsHumansLigandsModels, MolecularMolecular ConformationProtein BindingBlood Group AntigensBlood ProteinsFucoseGalectin 3GalectinsLGALS3 protein, humanLigandsblood-group antigenconformational entropyglycanslectinsmolecular recognition

Identifiers

PMID30942512
PMCPMC6619289
OpenAlexW2933091677

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC-ND
Read underepoch 390

Registered trials

None linked

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.