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揭示发芽黑豆提取物的潜力:通过计算机模拟和体外方法靶向拓扑异构酶 IIα。

Unveiling the potential of germinated black bean extracts: Targeting topoisomerase IIα through in silico and in vitro approaches.

机构信息

State Key Laboratory of Food Science and Technology, School of Food Science and Technology, National Engineering Research Center for Functional Food, Jiangnan University, 1800 Lihu Avenue, Wuxi 214122, China.

The Key Laboratory of Carbohydrate Chemistry and Biotechnology, Ministry of Education, School of Biotechnology, Jiangnan University, Wuxi 214122, China.

出版信息

Food Chem. 2025 Feb 1;464(Pt 1):141576. doi: 10.1016/j.foodchem.2024.141576. Epub 2024 Oct 9.

DOI:10.1016/j.foodchem.2024.141576
PMID:39406134
Abstract

This study investigates the potential of germinated black bean extracts (GBBE) to modulate the activity of topoisomerase IIα (topo IIα), a key enzyme involved in DNA replication and repair, particularly in triple-negative breast cancer (TNBC). Germination significantly elevated the polyphenolic content of black beans, thereby enhancing their antioxidant properties. Molecular docking studies demonstrated a strong interaction between GBBE and the active site of topo IIα, suggesting a possible mechanism for its inhibitory action. In vitro experiments revealed a significant inhibitory effect of GBBE on topo IIα ATPase activity, which was further confirmed by the decatenation assay, with bean extracts germinated for three days showing the highest effect. The study underscores the significance of GBBE as a promising natural source of bioactive compounds with the capacity to inhibit topo IIα activity, offering a potential novel therapeutic strategy against TNBC. Warranting further investigation to clarify the molecular mechanisms underlying these effects.

摘要

本研究旨在探讨发芽黑豆提取物(GBBE)对拓扑异构酶 IIα(topo IIα)活性的调节作用,topo IIα 是一种参与 DNA 复制和修复的关键酶,尤其在三阴性乳腺癌(TNBC)中发挥重要作用。发芽过程显著提高了黑豆的多酚含量,从而增强了其抗氧化特性。分子对接研究表明,GBBE 与 topo IIα 的活性位点之间存在强烈的相互作用,提示其抑制作用的可能机制。体外实验显示 GBBE 对 topo IIα ATP 酶活性具有显著的抑制作用,交联实验进一步证实了这一点,其中发芽三天的黑豆提取物效果最佳。该研究强调了 GBBE 作为一种有前途的生物活性化合物天然来源的重要性,其具有抑制 topo IIα 活性的潜力,为治疗 TNBC 提供了一种新的潜在治疗策略。需要进一步研究以阐明这些作用的分子机制。

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