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提取物的植物化学剖析、抗氧化能力及抗糖尿病潜力:超高效液相色谱-串联质谱分析、体外酶抑制试验及分子对接研究

Phytochemical Profiling, Antioxidant Capacity, and the Antidiabetic Potential of Extracts: UHPLC-MS/MS Analysis, In Vitro Enzyme Inhibition Assays, and Molecular Docking Studies.

作者信息

Roubi Mohammed, Daoudi Nour Elhouda, Dalli Mohammed, Azizi Salah-Eddine, Mahdi Youness, Mothana Ramzi A, Al-Yousef Hanan M, Hawwal Mohammed F, Kandsi Fahd, Conte Raffaele, Gseyra Nadia

机构信息

Laboratory of Bioresources, Biotechnology, Ethnopharmacology and Health Mohammed First University Oujda Morocco.

Higher Institute of Nursing Professions and Health Techniques Oujda Morocco.

出版信息

Food Sci Nutr. 2025 Aug 2;13(8):e70745. doi: 10.1002/fsn3.70745. eCollection 2025 Aug.

Abstract

(L.) is known to be characterized by numerous pharmacological prospects comprising antioxidant, anticancer, antibacterial, and antidiabetic properties. The core objective of the present study is to harness the chemical composition of aqueous extract (EA), hydroethanolic extract (EHA), and ethanolic extract (EE), followed by the investigation of the antidiabetic potential of extracts on two important targets, porcine proteins (α-amylase and hemoglobin). A molecular docking study was adopted to computationally identify the bioactive compounds responsible for the observed antidiabetic effect. Phytochemical profiling using UHPLC-MS/MS identified 21 compounds across the three extracts, with trans-cinnamic acid being the most abundant in all. The extracts exhibited significant inhibitory effects on both α-amylase and hemoglobin glycation, with IC values of 1.89, 3.33, and 2.07 mg/mL (for EA, EHA, and EE, respectively) against α-amylase and 0.29, 0.31, and 0.41 mg/mL against glycation, demonstrating a significant inhibitory impact of on both target proteins. With regard to the in silico computational study, it has been demonstrated that both catechin and epigallocatechin emerge as the most active compounds, displaying high binding activity compared to acarbose, a standard antidiabetic drug. These findings highlight the rich phytochemical profile and strong antidiabetic potential of extracts, supporting their development as natural therapeutic agents for diabetes management.

摘要

已知(L.)具有众多药理学前景,包括抗氧化、抗癌、抗菌和抗糖尿病特性。本研究的核心目标是利用水提取物(EA)、氢乙醇提取物(EHA)和乙醇提取物(EE)的化学成分,随后研究提取物对两个重要靶点——猪蛋白(α-淀粉酶和血红蛋白)的抗糖尿病潜力。采用分子对接研究从计算上鉴定出导致观察到的抗糖尿病作用的生物活性化合物。使用超高效液相色谱-串联质谱法(UHPLC-MS/MS)进行的植物化学分析在三种提取物中鉴定出21种化合物,其中反式肉桂酸在所有提取物中含量最高。提取物对α-淀粉酶和血红蛋白糖基化均表现出显著的抑制作用,对α-淀粉酶的IC值分别为1.89、3.33和2.07mg/mL(分别对应EA、EHA和EE),对糖基化的IC值分别为0.29、0.31和0.41mg/mL,表明(提取物)对两种靶蛋白均有显著的抑制作用。关于计算机模拟研究,已证明儿茶素和表没食子儿茶素是最具活性的化合物,与标准抗糖尿病药物阿卡波糖相比,它们表现出高结合活性。这些发现突出了(提取物)丰富的植物化学特征和强大的抗糖尿病潜力,支持将其开发为用于糖尿病管理的天然治疗剂。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a278/12317189/383a936aa397/FSN3-13-e70745-g006.jpg

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