通过多方面的体外生物活性评估和分子对接研究，从越橘果实产品和副产品到促进健康的作用

IF 1.5 4区农林科学 Q3 PLANT SCIENCES

Journal of Berry Research Pub Date : 2024-04-26 DOI:10.3233/jbr-230066

Milica Milutinović, Nada Ćujić Nikolić, Milica Radan, Tatjana Mihajilov Krstev, Katarina Šavikin, Predrag Petrović, Milica Randjelović, Bojana Miladinović, Suzana Branković, Dušanka Kitić

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引用次数: 0

摘要

背景：富含多酚的越橘提取物和果汁可为人类健康带来益处。此外，加工后的副产品也是有价值化合物的潜在新来源。目的：该研究旨在根据酸果蔓提取物、果汁和废提取物（果汁加工后的剩余物）的化学成分和分子对接分析，评估它们的体外生物活性。方法：采用分光光度法测定冻干样品中的酚类、花青素、类黄酮和原花青素含量。此外，还通过高效液相色谱分析鉴定了单个花青素、类黄酮和糖类。使用两种体外方法测试了抗氧化能力，并评估了抗菌活性。使用分光光度法检测了抑制酪氨酸酶和乙酰胆碱酯酶的效果。分子对接分析确定了越橘成分与这些酶的活性位点之间的相互作用。结果：在 DPPH 系统中，废弃物提取物表现出最强大的抗氧化活性。虽然所有蔓越橘制剂都不具有杀菌活性，但它们对与胃肠道相关的特定微生物菌株具有抑制作用。研究结果表明，蓝莓产品具有抑制酪氨酸酶和乙酰胆碱酯酶的能力。分子对接证实了蓝莓化合物与这些酶之间的强烈相互作用。结论：研究结果表明，蔓越橘产品和副产品具有作为宝贵药物资源的潜力。

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From the chokeberry fruit products and by-products to health-promoting effects through multifaceted in vitro bioactivity evaluation and molecular docking studies

BACKGROUND: Polyphenolic-rich chokeberry extracts and juice could provide health benefits in humans. Moreover, by-products after processing stand out as a potential new source of valuable compounds. OBJECTIVE: The research aimed to evaluate in vitro bioactivity of chokeberry fruit extract, juice, and waste extract (material remaining after juice processing) based on their chemical composition and molecular docking analysis. METHODS: Spectrophotometric methods were used to determine the phenolics, anthocyanins, flavonoids, and proanthocyanins content in freeze-dried samples. Additionally, individual anthocyanins, flavonoids, and sugars were identified through HPLC analysis. The antioxidant capacity was tested using two in vitro methods and assessing antimicrobial activity. The effects of tyrosinase and acetylcholinesterase inhibition were examined using spectrophotometric methods. Molecular docking analysis identified the interaction of chokeberry components with the active sites of these enzymes. RESULTS: The waste extract exhibited the most robust antioxidant activity within the DPPH system. While bactericidal activity was absent across all chokeberry preparations, they demonstrated inhibitory effects on specific microbiological strains relevant to the gastrointestinal tract. Results revealed the chokeberry products’ ability to inhibit tyrosinase and acetylcholinesterase. Molecular docking confirmed the strong interactions between chokeberry compounds and these enzymes. CONCLUSION: The results indicate the potential of chokeberry products and by-products as valuable resources for pharmaceutical applications.

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来源期刊

Journal of Berry Research Biochemistry, Genetics and Molecular Biology-Biochemistry

CiteScore

3.50

自引率

11.80%

发文量

期刊介绍： The main objective of the Journal of Berry Research is to improve the knowledge about quality and production of berries to benefit health of the consumers and maintain profitable production using sustainable systems. The objective will be achieved by focusing on four main areas of research and development: From genetics to variety evaluation Nursery production systems and plant quality control Plant physiology, biochemistry and molecular biology, as well as cultural management Health for the consumer: components and factors affecting berries'' nutritional value Specifically, the journal will cover berries (strawberry, raspberry, blackberry, blueberry, cranberry currants, etc.), as well as grapes and small soft fruit in general (e.g., kiwi fruit). It will publish research results covering all areas of plant breeding, including plant genetics, genomics, functional genomics, proteomics and metabolomics, plant physiology, plant pathology and plant development, as well as results dealing with the chemistry and biochemistry of bioactive compounds contained in such fruits and their possible role in human health. Contributions detailing possible pharmacological, medical or therapeutic use or dietary significance will be welcomed in addition to studies regarding biosafety issues of genetically modified plants.