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Medicinal Chemistry

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ISSN (Print): 1573-4064
ISSN (Online): 1875-6638

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Research Article

Natural Products as a Major Source of Candidates for Potential Senolytic Compounds obtained by in silico Screening

Author(s): Oscar S. Barrera-Vázquez, Gil A. Magos-Guerrero*, Juan L. Escobar-Ramírez and Juan C. Gomez-Verjan

Volume 19, Issue 7, 2023

Published on: 07 December, 2022

Page: [653 - 668] Pages: 16

DOI: 10.2174/1573406419666221019153537

Price: $65

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Abstract

Background: Preclinical studies suggest that senolytic compounds such as quercetin (a natural product) and dasatinib (a synthetic product) decrease senescent cells, reduce inflammation, and alleviate human frailty. This evidence has opened a new field of research for studying the effect of these compounds on age-related dysfunction and diseases.

Objective: The present study performed in silico and we identified new potential senolytic candidates from an extensive database that contains natural products (NPs) and semi-synthetic products (SMSs).

Methods: Computer programs Chemminer and rcdk packages, which compared the fingerprints of numerous molecules (40,383) with reference senolytics, and the creation of a pharmacological network built with signaling pathways and targets involved in senescence processes were used to identify compounds with a potential activity.

Results: Six drug-like candidates (3,4'-dihydroxypropiophenone, baicalein, α, β-dehydrocurvularin, lovastatin, luteolin, and phloretin) were identified.

Conclusion: To our knowledge, this is the first time that these six natural molecules have been proposed to have senolytic activity. To validate the methodology employed in the identification of new drug-like senolytics, experimental evidence is needed with models that evaluate senolytic activity.

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