Network toxicology and molecular docking techniques to explore the mechanism of bisphenol A on obesity DOI

Yang Lingjuan,

Yü Huang, Lei Zhang

и другие.

International Journal of Environmental Health Research, Год журнала: 2025, Номер unknown, С. 1 - 13

Опубликована: Апрель 19, 2025

The study investigates how bisphenol A (BPA) exposure may lead to obesity (OB) by identifying molecular mechanisms and suggests a new research approach for examining the health effects of chemical toxins. Researchers identified 237 potential targets associated with BPA OB using CTD, STITCH, DrugBank, GeneCards, OMIM databases. Analysis STRING Cytoscape revealed 10 key targets, including INS, IL-6, AKT1, PPARG. Enrichment analysis via DAVID database indicated that these are primarily involved in PI3K-Akt Insulin signaling pathways. These findings indicate contribute occurrence development influencing apoptosis, proliferation, inflammatory signaling, insulin resistance. Molecular docking showed strong binding PPARG, dynamics simulations revealing stable complex This offers insights into BPA's role supports efforts prevent treat diseases linked BPA-containing plastic products certain BPA-inundated environments.

Язык: Английский

Integrated computational analysis of molecular mechanisms underlying perfluorooctane sulfonic acid induced thyroid toxicity DOI Creative Commons
Haoran Li, Bo Yu, Ye Yuan

и другие.

Scientific Reports, Год журнала: 2025, Номер 15(1)

Опубликована: Март 6, 2025

Perfluorooctane sulfonic acid (PFOS), a persistent organic pollutant, significantly disrupts thyroid function. This study presented an integrated computational approach, combining network toxicology, molecular docking, and dynamics simulations to systematically elucidate the mechanisms underlying PFOS induced toxicity. Through analysis of Comparative Toxicogenomics Database (CTD), GeneCards, Online Mendelian Inheritance in Man (OMIM) databases, we identified 205 potential toxicity-related targets. Protein-protein interaction revealed 34 hub targets, with TP53, JUN, ESR1, AKT1, CTNNB1 emerging as central nodes toxicity network. Functional enrichment demonstrated significant PPAR signaling pathway, fatty metabolism, AGE-RAGE AMPK indicating that influences function through multiple pathways. Molecular docking studies showed forms stable complexes core target proteins, binding energies ranging from - 4.9 -9.7 kcal/mol. further validated structural stability these complexes, PFOS-AKT1 PFOS-TP53 exhibiting highest conformational stability. multi-target multi-pathway characteristics PFOS-induced toxicity, providing novel insights into its toxicological mechanisms.

Язык: Английский

Процитировано

0

Nutritional Profiling of Oncorhynchus mykiss from Çamlıgöze Dam, Türkiye: Health Risk Assessment through Monte Carlo Simulation and Elemental Source Attribution using Positive Matrix Factorization DOI
Mehmet Metin Yazman, Fikret Ustaoğlu, Bayram Yüksel

и другие.

Process Safety and Environmental Protection, Год журнала: 2025, Номер unknown, С. 107172 - 107172

Опубликована: Апрель 1, 2025

Язык: Английский

Процитировано

0

Integrative network and computational toxicology reveal the molecular mechanisms in PFOA-induced spermatogenic disorder DOI Creative Commons

Yujia Luo,

Ensheng Xue,

Yixiang Zhao

и другие.

Journal of Environmental Management, Год журнала: 2025, Номер 386, С. 125754 - 125754

Опубликована: Май 13, 2025

Язык: Английский

Процитировано

0

Preconception exposure to perfluorooctanesulfonic acid (PFOS) and perfluorobutanesulfonic acid (PFBS) impaired reproduction via insulin/insulin-like growth factor signaling pathway without effects on the second generation in Caenorhabditis elegans DOI Creative Commons
Sida Li, Yiren Yue,

Zhuojia Qian

и другие.

Toxicology Reports, Год журнала: 2025, Номер 14, С. 101966 - 101966

Опубликована: Фев. 19, 2025

Язык: Английский

Процитировано

0

Network toxicology and molecular docking techniques to explore the mechanism of bisphenol A on obesity DOI

Yang Lingjuan,

Yü Huang, Lei Zhang

и другие.

International Journal of Environmental Health Research, Год журнала: 2025, Номер unknown, С. 1 - 13

Опубликована: Апрель 19, 2025

The study investigates how bisphenol A (BPA) exposure may lead to obesity (OB) by identifying molecular mechanisms and suggests a new research approach for examining the health effects of chemical toxins. Researchers identified 237 potential targets associated with BPA OB using CTD, STITCH, DrugBank, GeneCards, OMIM databases. Analysis STRING Cytoscape revealed 10 key targets, including INS, IL-6, AKT1, PPARG. Enrichment analysis via DAVID database indicated that these are primarily involved in PI3K-Akt Insulin signaling pathways. These findings indicate contribute occurrence development influencing apoptosis, proliferation, inflammatory signaling, insulin resistance. Molecular docking showed strong binding PPARG, dynamics simulations revealing stable complex This offers insights into BPA's role supports efforts prevent treat diseases linked BPA-containing plastic products certain BPA-inundated environments.

Язык: Английский

Процитировано

0