Triclosan (TCS) is widely used in personal care products and acts as an antibacterial agent. Residues of TCS may have potential effects on the human health. In this article, the interaction between TCS and bovine serum albumin (BSA) has been characterized by using multi-spectroscopic approaches and molecular docking method under physiological conditions. Thermodynamic investigations revealed that TCS spontaneously bound to a binding site of BSA and hydrogen bonds played a dominant role in this process. The site marker competition experiments indicated that TCS bound at site II (subdomain IIIA) of BSA, which was well substantiated by molecular docking. The binding of TCS further led to changes of conformation and microenvironment of BSA. This work explored the interaction of TCS with BSA, which might be beneficial for evaluating the binding mechanism of other environmental pollutant at molecular level.

中文翻译：

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三氯生和牛血清白蛋白结合相互作用的表征。

三氯生（TCS）广泛用于个人护理产品中，并充当抗菌剂。TCS残留物可能对人体健康有潜在影响。在这篇文章中，TCS和牛血清白蛋白（BSA）之间的相互作用已通过在生理条件下使用多光谱方法和分子对接方法进行了表征。热力学研究表明，TCS自发结合到BSA的结合位点和氢键在此过程中起主导作用。站点标记竞争实验表明，TCS结合在BSA的站点II（子域IIIA）上，通过分子对接可以很好地证实这一点。TCS的结合进一步导致BSA的构象和微环境的改变。这项工作探索了TCS与BSA的互动，