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Analysis of institutional authors

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October 10, 2022
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Small Molecules as Toll-like Receptor 4 Modulators Drug and In-House Computational Repurposing

Publicated to:Biomedicines. 10 (9): 2326- - 2022-09-01 10(9), DOI: 10.3390/biomedicines10092326

Authors: Pérez-Regidor L; Guzmán-Caldentey J; Oberhauser N; Punzón C; Balogh B; Pedro JR; Falomir E; Nurisso A; Mátyus P; Menéndez JC; de Andrés B; Fresno M; Martín-Santamaría S

Affiliations

CSIC - Centro de Investigaciones Biológicas Margarita Salas (CIB) - Author
CSIC - Centro de Investigaciones Biológicas Margarita Salas (CIB) , Université de Genève - Author
Instituto de Salud Carlos III - Author
Semmelweis Egyetem - Author
Universidad Autónoma de Madrid - Author
Universidad Complutense de Madrid, Facultad de Farmacia - Author
Universidad Jaume I - Author
Universitat de València - Author
UNIVERSITE DE GENEVE - Author
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Abstract

The innate immunity toll-like receptor 4 (TLR4) system is a receptor of paramount importance as a therapeutic target. Virtual screening following a “computer-aided drug repurposing” approach was applied to the discovery of novel TLR4 modulators with a non-lipopolysaccharide-like structure. We screened almost 29,000 approved drugs and drug-like molecules from commercial, public, and in-house academia chemical libraries and, after biological assays, identified several compounds with TLR4 antagonist activity. Our computational protocol showed to be a robust approach for the identification of hits with drug-like scaffolds as possible inhibitors of the TLR4 innate immune pathways. Our collaborative work broadens the chemical diversity for inspiration of new classes of TLR4 modulators.

Keywords

dockingdrug repurposinginnate immunitytoll-like receptor 4DockingDrug repurposingInnate immunityToll-like receptor 4Virtual screening

Quality index

Bibliometric impact. Analysis of the contribution and dissemination channel

The work has been published in the journal Biomedicines due to its progression and the good impact it has achieved in recent years, according to the agency WoS (JCR), it has become a reference in its field. In the year of publication of the work, 2022, it was in position 68/278, thus managing to position itself as a Q1 (Primer Cuartil), in the category Pharmacology & Pharmacy.

From a relative perspective, and based on the normalized impact indicator calculated from the Field Citation Ratio (FCR) of the Dimensions source, it yields a value of: 1.48, which indicates that, compared to works in the same discipline and in the same year of publication, it ranks as a work cited above average. (source consulted: Dimensions Jul 2025)

Specifically, and according to different indexing agencies, this work has accumulated citations as of 2025-07-16, the following number of citations:

  • WoS: 2
  • Scopus: 2
  • Europe PMC: 4

Impact and social visibility

From the perspective of influence or social adoption, and based on metrics associated with mentions and interactions provided by agencies specializing in calculating the so-called "Alternative or Social Metrics," we can highlight as of 2025-07-16:

  • The use of this contribution in bookmarks, code forks, additions to favorite lists for recurrent reading, as well as general views, indicates that someone is using the publication as a basis for their current work. This may be a notable indicator of future more formal and academic citations. This claim is supported by the result of the "Capture" indicator, which yields a total of: 16 (PlumX).

With a more dissemination-oriented intent and targeting more general audiences, we can observe other more global scores such as:

    It is essential to present evidence supporting full alignment with institutional principles and guidelines on Open Science and the Conservation and Dissemination of Intellectual Heritage. A clear example of this is:

    • The work has been submitted to a journal whose editorial policy allows open Open Access publication.
    • Assignment of a Handle/URN as an identifier within the deposit in the Institutional Repository: https://repositorio.uam.es/handle/10486/706808

    Leadership analysis of institutional authors

    This work has been carried out with international collaboration, specifically with researchers from: Hungary; Switzerland.