阿久哇枣提取物（）：植物化学分析、对单纯疱疹病毒-I和柯萨奇B4病毒的抗病毒活性以及计算机模拟研究。

Ajwa date extract (): Phytochemical analysis, antiviral activity against herpes simplex virus-I and coxsackie B4 virus, and in silico study.

作者信息

Aljohani Ahmad K, Maghrabi Nader A, Alrehili Osama M, Alharbi Abdulaziz S, Alsihli Rawad S, Alharthe Abdulrahman M, Albladi Rayan S, Alosaimi Khalid A, Albadrani Bader M, Miski Samar F, Elbadawy Hossein M, Alrehaili Bandar D, Abdelkarem Fahd A, Hussein Modather F

机构信息

From the Department of Pharmacognosy and Pharmaceutical Chemistry (Aljohani), College of Pharmacy; from the College of Pharmacy (Maghrabi, Alrehili, Alharbi, Alsihli, Alharthe, Albladi, Alosaimi, Albadrani); from the Department of Pharmacology and Toxicology (Miski, Elbadawy, Alrehaili), College of Pharmacy, Taibah University, Al-Medinah Al-Munawarah, from the Departmet of Chemistry (Hussein), Collage of Science, Jouf University, Aljouf, Kingdom of Saudi Arabia; from the Graduate School of Bioresource and Bioenvironmental Science (Abdelkarem), Kyushu University, Kyushu, Japan; from the Department of Pharmacognosy (Abdelkarem), Faculty of Pharmacy; and from the Department of Chemistry (Hussein), Faculty of Science, Al-Azhar University, Assiut, Egypt.

出版信息

Saudi Med J. 2025 Jan;46(1):26-35. doi: 10.15537/smj.2025.46.1.20240780.

DOI:10.15537/smj.2025.46.1.20240780

PMID:39779363

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11717108/

Abstract

OBJECTIVES

To investigate the phytochemical composition of Ajwa date extract and evaluate its antiviral activity and mechanism of action.

METHODS

High perfomance liquid chromatography, gas chromatography-mass spectrometry, and liquid chromatography-mass spectrometry were used to analyze the phytochemical profile of Ajwa date extract. The antiviral activity was assessed using the MTT colorimetric assay against herpes simplex virus type I (HSV-I) and coxsackievirus B4 (CVB-4). Assessment of the mechanism of action against HSV-I was carried out using 3 protocols. Molecular docking and quantum chemical calculations were carried out to predict the binding affinities of the identified compounds to viral glycoprotein D.

RESULTS

A total of 17 metabolites belonging to different classes of metabolites, mainly flavonoids, phenolic acid derivatives, fatty acids, and sugar derivatives. Ajwa extract exhibited antiviral activity against HSV-I with an IC: 50 of 113.99±4.67 μg/mL, whereas it showed limited activity against CVB-4. The antiviral activity of Ajwa extract was mainly attributed to its cell protectant activity by preventing adherence of viral to host cell with an IC: 50 equal to 57.82±1.37μg/mL. Molecular docking studies indicated that chlorogenic acid had the strongest binding affinity to viral glycoprotein D, which suggests its potential role in inhibiting viral entry into host cells.

CONCLUSION

The Ajwa date extract demonstrated promising antiviral activity, especially against HSV-I. Integrating in vitro and in silico analyses provided valuable insights into the mechanisms of action.

摘要

目的

研究阿久哇枣提取物的植物化学成分，评估其抗病毒活性及作用机制。

方法

采用高效液相色谱法、气相色谱 - 质谱联用法和液相色谱 - 质谱联用法分析阿久哇枣提取物的植物化学特征。使用MTT比色法评估对I型单纯疱疹病毒（HSV - I）和柯萨奇病毒B4（CVB - 4）的抗病毒活性。针对HSV - I作用机制的评估采用3种方案进行。进行分子对接和量子化学计算以预测所鉴定化合物与病毒糖蛋白D的结合亲和力。

结果

共鉴定出17种属于不同代谢物类别的代谢产物，主要为黄酮类、酚酸衍生物、脂肪酸和糖衍生物。阿久哇提取物对HSV - I表现出抗病毒活性，IC50为113.99±4.67μg/mL，而对CVB - 4的活性有限。阿久哇提取物的抗病毒活性主要归因于其细胞保护活性，通过阻止病毒与宿主细胞的黏附，IC50等于57.82±1.37μg/mL。分子对接研究表明绿原酸与病毒糖蛋白D具有最强的结合亲和力，这表明其在抑制病毒进入宿主细胞中的潜在作用。