Metabolic profiling of bisphenol A diglycidyl ether in vitro and in vivo

• Published in: Food and chemical toxicology Vol. 166; p. 113252
• Main Authors: Yang, Runhui, Chen, Xianggui, Niu, Yumin, Shao, Bing
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 01.08.2022
• Subjects: Bisphenol A diglycidyl ethers; In vitro; In vivo; In-silico toxicity; Metabolic profiling; Metabolic profiling; In vivo; Bisphenol A diglycidyl ethers; In-silico toxicity; In vitro
• ISSN: 0278-6915; 1873-6351
• DOI: 10.1016/j.fct.2022.113252

Bisphenol A diglycidyl ethers (BADGE) is one class of human-made chemicals, and it is one of the most widely used raw materials for epoxy resins. As an active compound, BADGE undergoes biotransformation in vitro and in vivo. However, there is a limited understanding of the biotransformation of BADGE and toxicity studies on transformation products. We conducted comprehensive research on the metabolic transformation of BADGE in vitro and in vivo. The results showed that 12 metabolites and 7 metabolites were identified in vitro and in vivo, respectively. Four biotransformation products, including M1 (hydrolysis), M3 (dehydroxylation), M10 (carboxylation), and M11 (glucose conjugation), can be found in both in vitro and in vivo samples. The main metabolic pathways were hydroxylation, carboxylation, cysteine (Cys) conjugation, and glucose conjugation. Besides, our results suggested the existence of metabolic differences in BADGE between species and gender. Further, we investigated toxicities of BADGE metabolites in-silico. Importantly, some hydrolysis (M1, M2), hydroxylation (M7), and oxidation (M8) products showed similar or even higher potential toxicity than BADGE depending on the endpoint. These results enrich the biotransformation profiles of BADGE and provide useful information for understanding its biotransformation in humans and a reference for the comprehensive assessment for human health risk. [Display omitted] •Hydrolysis, hydroxylation, carboxylation, cysteine and glucose conjugation were the main metabolic pathways of BADGE.•BADGE showed significant metabolic differences among species and gender.•The products of hydrolysis, hydroxylation, and oxidation showed enhanced in-silico toxicity than BADGE at different endpoints.