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Article

Chemoinformatic Screening for the Selection of Potential Senolytic Compounds from Natural Products

1
Department of Pharmacology, School of Medicine, Universidad Nacional Autónoma de México (UNAM), Mexico City 04510, Mexico
2
Dirección de Investigación, Instituto Nacional de Geriatría, Mexico City 10200, Mexico
*
Author to whom correspondence should be addressed.
Academic Editor: Antonio Evidente
Biomolecules 2021, 11(3), 467; https://doi.org/10.3390/biom11030467
Received: 25 February 2021 / Revised: 15 March 2021 / Accepted: 17 March 2021 / Published: 22 March 2021
Cellular senescence is a cellular condition that involves significant changes in gene expression and the arrest of cell proliferation. Recently, it has been suggested in experimental models that the elimination of senescent cells with pharmacological methods delays, prevents, and improves multiple adverse outcomes related to age. In this sense, the so-called senoylitic compounds are a class of drugs that selectively eliminates senescent cells (SCs) and that could be used in order to delay such adverse outcomes. Interestingly, the first senolytic drug (navitoclax) was discovered by using chemoinformatic and network analyses. Thus, in the present study, we searched for novel senolytic compounds through the use of chemoinformatic tools (fingerprinting and network pharmacology) over different chemical databases (InflamNat and BIOFACQUIM) coming from natural products (NPs) that have proven to be quite remarkable for drug development. As a result of screening, we obtained three molecules (hinokitiol, preussomerin C, and tanshinone I) that could be considered senolytic compound candidates since they share similarities in structure with senolytic leads (tunicamycin, ginsenoside Rb1, ABT 737, rapamycin, navitoclax, timosaponin A-III, digoxin, roxithromycin, and azithromycin) and targets involved in senescence pathways with potential use in the treatment of age-related diseases. View Full-Text
Keywords: chemoinformatics; senescence; natural products; senolytics; database; aging chemoinformatics; senescence; natural products; senolytics; database; aging
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MDPI and ACS Style

Barrera-Vázquez, O.S.; Gómez-Verjan, J.C.; Magos-Guerrero, G.A. Chemoinformatic Screening for the Selection of Potential Senolytic Compounds from Natural Products. Biomolecules 2021, 11, 467. https://doi.org/10.3390/biom11030467

AMA Style

Barrera-Vázquez OS, Gómez-Verjan JC, Magos-Guerrero GA. Chemoinformatic Screening for the Selection of Potential Senolytic Compounds from Natural Products. Biomolecules. 2021; 11(3):467. https://doi.org/10.3390/biom11030467

Chicago/Turabian Style

Barrera-Vázquez, Oscar Salvador, Juan Carlos Gómez-Verjan, and Gil Alfonso Magos-Guerrero. 2021. "Chemoinformatic Screening for the Selection of Potential Senolytic Compounds from Natural Products" Biomolecules 11, no. 3: 467. https://doi.org/10.3390/biom11030467

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