FARFOOD: a database of potential interactions between food compounds and drugs.

IF 7.9 3区生物学 Q1 MATHEMATICAL & COMPUTATIONAL BIOLOGY

Biodata Mining Pub Date : 2025-11-25 DOI:10.1186/s13040-025-00493-2

Ana María Nevado-Bulnes, Dixan Agustin Benitez, Guadalupe Cumplido-Laso, Jose María Carvajal-González, Sonia Mulero-Navarro, Angel-Carlos Román

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引用次数: 0

Abstract

Nutrition is a fundamental aspect in human life development, both from a socio-economic and medical perspective. In recent years, new personalized approaches have been added to the biochemical study of nutrients. These approaches consider both the effect of foods on the body and the role of genes in metabolizing or digesting different nutrients. Drug-food interactions have been known for decades, and databases like FooDrugs include curated interactions from multiple sources. In this paper we develop a method to predict potential interactions between foods and drugs based on the structural similarity between food compounds and medications. Our results have produced a database and an app to consult potential interactions between drugs and foods that we have called FARFOOD. Additionally, we validated two of these potential interactions with widely used drugs (lisinopril and bupropion) through structural docking between the ligand protein and the food compounds that are structurally similar to the drug. Moreover, patient surveys are used in the lisinopril and bupropion cases in addition to allopurinol to assess the possible effects of the potentially interacting foods on the symptoms of the conditions for which the medication is prescribed. In summary, this manuscript presents an interesting computational resource for predictive food-drug interaction analysis.

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FARFOOD：一个关于食物化合物和药物之间潜在相互作用的数据库。

从社会经济和医学的角度来看，营养是人类生命发展的一个基本方面。近年来，新的个性化方法被添加到营养物质的生化研究中。这些方法既考虑了食物对身体的影响，也考虑了基因在代谢或消化不同营养物质中的作用。药物与食物的相互作用几十年前就已经为人所知，像FooDrugs这样的数据库包含了来自多个来源的精心策划的相互作用。在本文中，我们提出了一种基于食物化合物和药物之间的结构相似性来预测食物和药物之间潜在相互作用的方法。我们的研究结果产生了一个数据库和一个应用程序，用于咨询药物和食物之间潜在的相互作用，我们称之为FARFOOD。此外，我们通过配体蛋白和与药物结构相似的食物化合物之间的结构对接，验证了其中两种与广泛使用的药物（赖诺普利和安非他酮）的潜在相互作用。此外，除了别嘌呤醇外，在赖诺普利和安非他酮病例中还使用了患者调查，以评估潜在相互作用的食物对处方药物的症状可能产生的影响。总之，这篇论文为预测食品药物相互作用分析提供了一个有趣的计算资源。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Biodata Mining MATHEMATICAL & COMPUTATIONAL BIOLOGY-

CiteScore

7.90

自引率

0.00%

发文量

审稿时长

23 weeks

期刊介绍： BioData Mining is an open access, open peer-reviewed journal encompassing research on all aspects of data mining applied to high-dimensional biological and biomedical data, focusing on computational aspects of knowledge discovery from large-scale genetic, transcriptomic, genomic, proteomic, and metabolomic data. Topical areas include, but are not limited to: -Development, evaluation, and application of novel data mining and machine learning algorithms. -Adaptation, evaluation, and application of traditional data mining and machine learning algorithms. -Open-source software for the application of data mining and machine learning algorithms. -Design, development and integration of databases, software and web services for the storage, management, retrieval, and analysis of data from large scale studies. -Pre-processing, post-processing, modeling, and interpretation of data mining and machine learning results for biological interpretation and knowledge discovery.