Computational profiling of toxic mixtures associated with type 2 diabetes mellitus development: identification of key protective agents

IF 3.5 3区医学 Q2 FOOD SCIENCE & TECHNOLOGY

Food and Chemical Toxicology Pub Date : 2026-03-01 Epub Date: 2025-12-13 DOI:10.1016/j.fct.2025.115893

Katarina Baralić , Jovana Jerotijević , Marta Pantelić , Jovana Živanović , Danijela Đukić-Ćosić

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Abstract

The aim of the current research was to assess the association between the exposure to plastic-related chemicals and toxic metals with the development of type 2 diabetes mellitus using an in silico approach, while also exploring the protective potential of antioxidant vitamins and phytochemicals, including Vitamin C, Vitamin E, sulforaphane, resveratrol, curcumin, naringin, and quercetin. CTD database, GeneMANIA server, and Toppgene portal were used as the main in silico tools in this study. Six common genes (BAX, CASP3, CAT, IL6, SOD1, TNF) were identified for all toxic substances, indicating potential shared mechanisms of toxicity (apoptosis, inflammation, oxidative stress). Additionally, phthalates and bisphenols affected cell growth, lipid and energy metabolism, and vascular functions, while toxic metals were linked to apoptosis regulation, DNA repair, insulin regulation, and glucose uptake. All tested protective substances, except naringin, affected all six common genes for all toxic substances, with vitamin C, vitamin E, and sulforaphane showing the most consistent protective effects. This study highlights the complex mechanisms in type 2 diabetes pathogenesis induced by toxic substances and provides a foundation for further research on the preventive effects of tested protective substances, emphasizing their varying protective potentials depending on the toxic compounds.

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与2型糖尿病发展相关的有毒混合物的计算分析：关键保护剂的鉴定

目前研究的目的是利用计算机方法评估接触塑料相关化学物质和有毒金属与2型糖尿病发展之间的关系，同时也探索抗氧化维生素和植物化学物质的保护潜力，包括维生素C、维生素E、萝卜硫素、白藜芦醇、姜黄素、柚皮素和槲皮素。本研究采用CTD数据库、GeneMANIA服务器和Toppgene门户作为主要的计算机工具。所有毒性物质均鉴定出6个共同基因（BAX、CASP3、CAT、IL6、SOD1、TNF），提示潜在的共同毒性机制（凋亡、炎症、氧化应激）。此外，邻苯二甲酸盐和双酚类物质影响细胞生长、脂质和能量代谢以及血管功能，而有毒金属与细胞凋亡调节、DNA修复、胰岛素调节和葡萄糖摄取有关。除柚皮苷外，所有测试的保护物质对所有有毒物质的所有六种常见基因都有影响，其中维生素C、维生素E和萝卜硫素显示出最一致的保护作用。本研究强调了毒性物质诱导2型糖尿病发病的复杂机制，为进一步研究所检测的保护物质的预防作用奠定了基础，并强调了它们的保护潜力随毒性物质的不同而不同。

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来源期刊

Food and Chemical Toxicology 工程技术-毒理学

CiteScore

10.90

自引率

4.70%

发文量

651

审稿时长

31 days

期刊介绍： Food and Chemical Toxicology (FCT), an internationally renowned journal, that publishes original research articles and reviews on toxic effects, in animals and humans, of natural or synthetic chemicals occurring in the human environment with particular emphasis on food, drugs, and chemicals, including agricultural and industrial safety, and consumer product safety. Areas such as safety evaluation of novel foods and ingredients, biotechnologically-derived products, and nanomaterials are included in the scope of the journal. FCT also encourages submission of papers on inter-relationships between nutrition and toxicology and on in vitro techniques, particularly those fostering the 3 Rs. The principal aim of the journal is to publish high impact, scholarly work and to serve as a multidisciplinary forum for research in toxicology. Papers submitted will be judged on the basis of scientific originality and contribution to the field, quality and subject matter. Studies should address at least one of the following: -Adverse physiological/biochemical, or pathological changes induced by specific defined substances -New techniques for assessing potential toxicity, including molecular biology -Mechanisms underlying toxic phenomena -Toxicological examinations of specific chemicals or consumer products, both those showing adverse effects and those demonstrating safety, that meet current standards of scientific acceptability. Authors must clearly and briefly identify what novel toxic effect (s) or toxic mechanism (s) of the chemical are being reported and what their significance is in the abstract. Furthermore, sufficient doses should be included in order to provide information on NOAEL/LOAEL values.