Viola stockii:抗氧化和抗炎黄酮苷的丰富来源,对 SARS-CoV-2 MPro、尖峰三聚体和表面糖蛋白具有共同的治疗潜力

IF 4.8 1区 农林科学 Q1 FOOD SCIENCE & TECHNOLOGY
Roshan Zamir , Shanza Munir , Humaira Yasmeen Gondal , Muhammad Nisar , Sami A. Al-Hussain , Ahmed Abbaskhan , Zain M. Cheema , Magdi E.A. Zaki , M. Iqbal Choudhary
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引用次数: 0

摘要

这项研究首次对 Viola stocksii 的植物化学和营养保健特性进行了全面调查。该研究旨在确定这种药草的治疗功效和生物活性成分,在巴基斯坦偏远地区,这种药草传统上被用作草药茶,用于治疗呼吸道和腹部疾病。该植物作为一种富含抗氧化剂的保健滋补品,具有抗炎和免疫调节活性,可对抗 COVID-19 及其不断演变的变体,因此对其治疗效果进行了评估。这项研究包括依次提取、生物测定指导下的分馏、分离、表征和生物评估。初步体外研究表明,该植物的极性馏分具有显著的抗氧化和抗炎潜力。色谱技术(Diaion 树脂 HP-20、Sephadex LH-20、ODS-C18 和 RP-HPLC)的多样化组合促进了该植物活性成分的纯化。通过对核磁共振(1H、13C 和 2D NMR)和质谱(EIMS、HR-EIMS 和 FAB-HRMS)数据的综合分析,确定分离出的化合物(1-4)为黄酮苷类。体外和体内评估结果表明,分离出的苷类化合物具有很高的抗氧化、抗炎和免疫调节活性,这些活性协同作用,在抗击 SARS-CoV-2 变体方面显示出巨大的潜力。除了 MPro 之外,研究人员还首次研究了两种尚未开发的蛋白质,即尖峰三聚体(7WZ1)和表面糖蛋白(7QTJ)的治疗潜力。经鉴定,山奈酚(KamGluαRh)和槲皮素(QurGluαRh)携带芸香糖苷,是该植物中最具活性的成分,其最高结合亲和力在 -10 至 -13 kcal/mol 之间。在穗状三聚体上发现了十个不同的活性区域,包括与蛋白质的基本 RBD 区域、穗状头部和尾部的强结合亲和力。MD 模拟验证了 Mpro-KamGluαRh 和 Mpro-QurGluαRh 复合物的稳定性,其平均 RMSD 值为 0.2 nm。ADMET 和药代动力学研究证实了所有提取化合物的治疗能力和药物相似性。研究结果揭示了苷类在提高黄酮类药效方面的有益作用,以及堇菜作为抗呼吸道感染(如 COVID-19)的免疫增强剂的潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Viola stocksii: A rich source of antioxidant and anti-inflammatory flavonoid glycosides with converged therapeutic potential against SARS-CoV-2 MPro, spike trimer, and surface glycoproteins

Viola stocksii: A rich source of antioxidant and anti-inflammatory flavonoid glycosides with converged therapeutic potential against SARS-CoV-2 MPro, spike trimer, and surface glycoproteins

This research presents the first comprehensive investigation into the phytochemical and nutraceutical properties of Viola stocksii. The study aimed to identify the therapeutic efficacy and bioactive constituents of this medicinal herb, traditionally used as an herbal tea for managing respiratory and abdominal issues in remote areas of Pakistan. The therapeutic efficacy of the plant was assessed as an anti-oxidant-rich health tonic coupled with anti-inflammatory and immunomodulatory activities against COVID-19 and its evolving variants. The study involved sequential extraction, bio-assay guided fractionation, isolation, characterization, and biological evaluation. Preliminary in vitro studies have demonstrated that polar fractions of the plant possess significant antioxidant and antiinflammatory potential. A diverse combination of chromatographic techniques (Diaion resin HP-20, Sephadex LH-20, ODS-C18, and RP-HPLC) facilitated the purification of active constituents of the plant. Comprehensive analysis of NMR (1H, 13C, and 2D NMR) and mass (EIMS, HR-EIMS, and FAB-HRMS) spectral data lead to characterize the isolated compounds (14) as flavonoid glycosides. Results from in vitro and in-silico evaluations revealed that the isolated glycosides exhibit high antioxidant, antiinflammatory, and immunomodulatory activities, which synergistically show promising potential in combating SARS-CoV-2 variants. Besides MPro, therapeutic potential against two unexplored proteins i.e. the spike trimer (7WZ1) and surface glycoproteins (7QTJ) was studied for the first time. Kaempferol (KamGluαRh) and quercetin (QurGluαRh) carrying rutinoside, were identified as the most active constituents of the plant, with the highest binding affinities in the range of −10 to −13 kcal/mol. Ten distinct active regions were explored on the spike trimer, including strong binding affinity with the essential RBD region, spike head, and tail of the protein. MD simulation validated the stability of Mpro-KamGluαRh and Mpro-QurGluαRh complexes evidenced by an average RMSD of 0.2 nm led to the mechanistic understanding of Mpro inhibition. ADMET and pharmacokinetic studies authenticated the therapeutic ability and drug-likeness profiling of all extracted compounds. Results revealed the beneficial role of glycosides in boosting the medicinal effectiveness of flavonoids and the potential of Viola stocksii as an immunity booster against respiratory infections like COVID-19.

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来源期刊
Food Bioscience
Food Bioscience Biochemistry, Genetics and Molecular Biology-Biochemistry
CiteScore
6.40
自引率
5.80%
发文量
671
审稿时长
27 days
期刊介绍: Food Bioscience is a peer-reviewed journal that aims to provide a forum for recent developments in the field of bio-related food research. The journal focuses on both fundamental and applied research worldwide, with special attention to ethnic and cultural aspects of food bioresearch.
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