PDF(Pubmed)
Abstract：
Di-isononyl phthalates are chemicals that are widely used as plasticizers. Humans are extensively exposed to these compounds by dietary intake, through inhalation and skin absorption. Sulfotransferases (SULTs) are enzymes responsible for the detoxification and elimination of numerous endogenous and exogenous molecules from the body. Consequently, SULTs are involved in regulating the biological activity of various hormones and neurotransmitters. The present study considers a computational approach to predict the toxicological potential of the metabolites of di-isononyl phthalate. Furthermore, molecular docking was considered to evaluate the inhibitory potential of these metabolites against the members of family 1 of SULTs. The metabolites of di-isononyl phthalate reveal a potency to cause liver damage and to inhibit receptors activated by peroxisome proliferators. These metabolites are also usually able to inhibit the activity of the members of family 1 of SULTs, except for SULT1A3 and SULT1B1. The outcomes of this study are important for an enhanced understanding of the risk of human exposure to di-isononyl phthalates.
摘要：
邻苯二甲酸二异壬酯是广泛用作增塑剂的化学品。人类通过饮食摄入广泛接触这些化合物，通过吸入和皮肤吸收。磺基转移酶(SULTs)是负责从体内解毒和消除许多内源性和外源性分子的酶。因此,SULTs参与调节各种激素和神经递质的生物活性。本研究考虑了一种计算方法来预测邻苯二甲酸二异壬酯代谢物的毒理学潜力。此外，分子对接被认为是评估这些代谢物对SULTs家族1成员的抑制潜力。邻苯二甲酸二异壬酯的代谢物显示出引起肝损伤和抑制过氧化物酶体增殖物激活的受体的能力。这些代谢物通常还能够抑制SULTs家族1成员的活性，除了SULT1A3和SULT1B1。这项研究的结果对于加深对人类暴露于邻苯二甲酸二异壬酯的风险的理解非常重要。
