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乳过氧化物酶对某些天然酚类化合物的抑制作用:动力学和分子对接研究。

Lactoperoxidase inhibition of some natural phenolic compounds: Kinetics and molecular docking studies.

作者信息

Koksal Zeynep, Kalin Ramazan, Kalin Pinar, Karaman Muhammet, Gulcin İlhami, Ozdemir Hasan

机构信息

Faculty of Engineering and Natural Sciences, Department of Chemistry, Istanbul Medeniyet University, Istanbul, Turkey.

Faculty of Science, Department of Basic Science, Erzurum Technical University, Erzurum, Turkey.

出版信息

J Food Biochem. 2020 Feb;44(2):e13132. doi: 10.1111/jfbc.13132. Epub 2019 Dec 26.

DOI:10.1111/jfbc.13132
PMID:31876973
Abstract

The inhibition effects of some phenolic compounds from natural products such as taxifolin, resveratrol, olivetol, cynarine, and phloretin on bovine milk lactoperoxidase (LPO) enzyme were examined. For this aim, LPO was purified by the affinity chromatography technique with a yield of 77.68% in 421.32 times. The kinetic value, K , was calculated from the equations obtained from drawn graphs. In order to discover inhibition mechanism of phenolic compounds, induced fit docking process was performed on the LPO receptors. The binding affinity of the compounds was calculated and at the best-scored ligand-receptor complex, residues responsible for enzyme inhibition were detected. As a result, this molecule demonstrated the potential inhibitory effect on LPO. According to the results of kinetic study. It has shown a noncompetitive inhibition effect, Phloretin's K value was determined by 48.89 ± 14.22 nM. PRACTICAL APPLICATIONS: There are natural antimicrobial systems, such as the lactoperoxidase (E.C.1.11.1.7; LPO) system, which eliminates the harmful effects of microorganisms in milk. The chemical reactions in this system are catalyzed by the LPO. In the dairy industry, the LPO system is considered critical for the preservation of pasteurized milk, yogurt, raw milk, and cheese. The system is used for improvement the protection condition of milk at high temperatures.

摘要

研究了天然产物中一些酚类化合物如紫杉叶素、白藜芦醇、橄榄醇、绿原酸和根皮素对牛乳过氧化物酶(LPO)的抑制作用。为此,采用亲和色谱技术纯化LPO,纯化倍数为421.32倍,得率为77.68%。根据从绘制的图表中得到的方程计算动力学值K。为了揭示酚类化合物的抑制机制,对LPO受体进行了诱导契合对接过程。计算了化合物的结合亲和力,并在得分最高的配体-受体复合物中检测到负责酶抑制的残基。结果表明,该分子对LPO具有潜在的抑制作用。根据动力学研究结果,其表现出非竞争性抑制作用,根皮素的K值为48.89±14.22 nM。实际应用:存在天然抗菌系统,如乳过氧化物酶(E.C.1.11.1.7;LPO)系统,可消除牛奶中微生物的有害影响。该系统中的化学反应由LPO催化。在乳制品行业,LPO系统被认为对巴氏杀菌牛奶、酸奶、生牛奶和奶酪的保存至关重要。该系统用于改善牛奶在高温下的保护条件。

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