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In vitro effects of standard antioxidants on lactoperoxidase enzyme-A molecular docking approach

机译：标准抗氧化剂对乳酰氧化酶 - 一种分子对接方法的体外影响

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摘要

Lactoperoxidase (LPO), an antioxidant enzyme, is a natural antimicrobial system that eliminates the harmful effects of microorganisms in milk. It has a wide range of applications and is also preferred in cosmetic and clinical applications, as well as used in foods. The use of antioxidants is well recognized in the food and feed industries to improve the shelf life of products. This study aimed to determine the in vitro inhibition effects of Trolox, α-tocopherol, butylated hydroxyanisole, butylated hydroxytoluene, and propyl gallate, which are commonly used as antioxidants in food and pharmaceutical products. For this purpose, LPO was first purified in a single step using sepharose-4B-l-tyrosine-sulfanilamide affinity gel chromatography. Also, some inhibition parameters, including half-maximal inhibitory concentration (IC_50), K_i, values, and inhibition types, were calculated for each antioxidant molecule. The IC_50 values of these molecules, which exhibited competitive inhibition, varied between 377.7 and 3397.8 nM. Molecular docking studies were also performed for all compounds. According to the binding scores, α-tocopherol was shown to exhibit the most effective inhibitor property (IC_50: 377.7 nM and K_i: 635.8 ± 16.8 nM) among the standard antioxidants used in this study. Inhibiting the LPO activity by standard antioxidants results in the weakening of the immune system during lactation, which is important for metabolism.
机译：乳过氧化物酶（LPO）是一种抗氧化酶，是一种天然的抗菌系统，可以消除牛奶中微生物的有害影响。它有着广泛的应用，在化妆品和临床应用以及食品中都是首选。抗氧化剂的使用在食品和饲料行业得到广泛认可，可以提高产品的保质期。本研究旨在确定特洛洛克斯、α-生育酚、丁基羟基苯甲醚、丁基羟基甲苯和没食子酸丙酯的体外抑制作用，这些常用于食品和医药产品中的抗氧化剂。为此，首先使用sepharose-4B-l-酪氨酸-磺胺亲和凝胶色谱法一步纯化LPO。此外，还计算了每个抗氧化剂分子的一些抑制参数，包括半最大抑制浓度（IC_50）、K_i、值和抑制类型。这些表现出竞争抑制的分子的IC_50值在377.7和3397.8 nM之间变化。对所有化合物也进行了分子对接研究。根据结合分数，在本研究中使用的标准抗氧化剂中，α-生育酚显示出最有效的抑制剂性质（IC_50:377.7nm和K_i:635.8±16.8nm）。通过标准抗氧化剂抑制LPO活性会导致哺乳期免疫系统减弱，这对新陈代谢很重要。

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