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bioRxiv · 10.1101/2022.05.12.491721

In silico screening of novel senolytic compounds from natural food sources

Chaganti, T.·Pendyala, B.
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Abstract

More than 23% of todays population suffers from age-associated diseases such as arthritis, cancer, heart disease, and more. The ongoing economic impact of these diseases has been in the billions of dollars worldwide with no clear solution to date. This study addresses the underlying cause of these diseases by identifying the compounds that potentially eliminate senescent cells. Existing senolytic drugs are not abundantly found in nature, reducing accessibility. Hence, over 70,000 natural compounds available in the Canadian Food Database were used to screen penitential senolytic compounds that block PI3K{gamma}, reactivating apoptotic processes in senescent cells. Molecular docking results revealed 23 natural compounds that blocks the PI3K{gamma}. Out of 23 compounds, Cianidanol, Ellagic acid, Eriodictyol, Kaempferol and Cyanidin were found abundantly in food sources range from 85 to 735 mg/100 g. These compounds are up to 46 times more abundant in foods than proven senolytic drug Fisetin. Further, molecular dynamics results showed ligand stability for 4 nanoseconds with PI3K{gamma}. The five compounds are proven to eliminate cancerous cells, have the potential to prevent age-related diseases, and could even slow down natural aging.

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Chaganti, T., Pendyala, B.. 2022-05-13. In silico screening of novel senolytic compounds from natural food sources. https://doi.org/10.1101/2022.05.12.491721

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