A Review on <i>In Silico</i> Evaluation of Flavonoids as Potential Pharmaceutical Ingredients

Flavonoids have antioxidant, antibacterial, and anti-inflammatory properties and are promising candidates for therapeutic and health-promoting applications. The effects of bioactive compounds on health are contingent upon their ingestion and bioavailability. The impact of flavonoids on humans and their potential as food supplements can often be predicted using <i>in silico</i> ADMET (absorption, distribution, metabolism, excretion, and toxicity) modeling. The aim of this review is to examine the drug-like properties of flavonoids using SwissADME and evaluate their pharmaceutical potential as supplements. In the future, flavonoids are expected to find wider use not only as food preservatives or colorants but also as functional food ingredients and nutraceutical supplements. Trends in personalized nutrition, healthy aging, and strategies for chronic disease prevention will particularly enhance the value of flavonoids. However, for this potential to be realized, clarification of regulations, strengthening of toxicological data, and intensifying collaboration between industry and academia are crucial.

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Publication Details

Journal
Journal of Medicinal Food
Published
2026-03-13
DOI
https://doi.org/10.1177/1096620x261430296
Primary Topic
Phytochemicals and Antioxidant Activities
Type
article
Field-Weighted Citation Impact
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article

A Review on In Silico Evaluation of Flavonoids as Potential Pharmaceutical Ingredients

Emel Akyol, Ilknur Kucuk, Sinan Simsek
Journal of Medicinal Food
Phytochemicals and Antioxidant Activities
article

A Review on In Silico Evaluation of Flavonoids as Potential Pharmaceutical Ingredients

Emel Akyol, Ilknur Kucuk, Sinan Simsek
article en

Abstract

Flavonoids have antioxidant, antibacterial, and anti-inflammatory properties and are promising candidates for therapeutic and health-promoting applications. The effects of bioactive compounds on health are contingent upon their ingestion and bioavailability. The impact of flavonoids on humans and their potential as food supplements can often be predicted using <i>in silico</i> ADMET (absorption, distribution, metabolism, excretion, and toxicity) modeling. The aim of this review is to examine the drug-like properties of flavonoids using SwissADME and evaluate their pharmaceutical potential as supplements. In the future, flavonoids are expected to find wider use not only as food preservatives or colorants but also as functional food ingredients and nutraceutical supplements. Trends in personalized nutrition, healthy aging, and strategies for chronic disease prevention will particularly enhance the value of flavonoids. However, for this potential to be realized, clarification of regulations, strengthening of toxicological data, and intensifying collaboration between industry and academia are crucial.

Journal of Medicinal Food
Yıldız Technical University (TR)
Openalex Percentile: Top 24%
Phytochemicals and Antioxidant Activities
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