基于网络药理学和分子对接的黑蒜抗氧化机制

IF 0.5 4区 医学
Yuchen Shang, Qiuhong Wang, Shuyang Feng, Zhangbing Du, Shiyou Liang, Jing Dai, Zhenzhen Wang, Ruyi Sha, Jianwei Mao, Liming Zhang
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引用次数: 0

摘要

黑蒜具有抗氧化作用,但其具体的抗氧化机理仍难以确定。本研究利用网络药理学和分子对接技术研究了黑蒜的抗氧化机制。通过查阅文献并收集中药系统药理学数据库和分析平台数据库,共获得 67 种黑蒜活性成分和 583 个潜在靶蛋白。以与氧化应激靶点的交叉点为例,得到了357个交叉靶点。经过网络药理学分析,确定了核心活性成分芹菜素、阿魏酸、棕榈酸、槲皮素和咖啡酸。核心靶点是 KIT、KDR 和 ERBB2。核心途径是 PI3K/Akt 途径。分子对接结果显示,KIT和ERBB2的对接得分相对较高,且这三个靶点与槲皮素的结合效果最好,这表明黑蒜中的槲皮素等活性成分可能主要作用于KIT、KDR和ERBB2等靶点,从而发挥抗氧化作用。综上所述,该研究在理论层面上表明黑蒜具有良好的抗氧化作用,为黑蒜功能性产品的开发提供了理论依据。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Antioxidant Mechanism of Black Garlic Based on Network Pharmacology and Molecular Docking
Black garlic possesses antioxidant effects, however, its specific antioxidant mechanism remains elusive. The present study investigates the antioxidant mechanism of black garlic using network pharmacology and molecular docking techniques. By reviewing literature and collecting the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform database, a total of 67 black garlic active ingredients and 583 potential target proteins were obtained. Taking the intersection with oxidative stress targets resulted in 357 intersection targets. After network pharmacology analysis, the core active ingredients apigenin, ferulic acid, palmitic acid, quercetin and caffeic acid were identified. The core targets are KIT, KDR and ERBB2. The core pathway is the PI3K/Akt pathway. Molecular docking results showed that KIT and ERBB2 have relatively high docking scores, and all three targets have the best binding effects with quercetin, indicating that active ingredients in black garlic such as quercetin may mainly act on targets like KIT, KDR and ERBB2 to exert antioxidant effects. Collectively, the study indicates that black garlic have good antioxidant effects at a theoretical level, providing theoretical basis for the development of functional products of black garlic.
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来源期刊
Journal of Biobased Materials and Bioenergy
Journal of Biobased Materials and Bioenergy 工程技术-材料科学:生物材料
自引率
0.00%
发文量
60
审稿时长
6 months
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