Network Pharmacology of Natural Polyphenols for Stroke: A Bioinformatic Approach to Drug Design.

Q2 Biochemistry, Genetics and Molecular Biology

Advances and Applications in Bioinformatics and Chemistry Pub Date : 2025-10-06 eCollection Date: 2024-01-01 DOI:10.2147/AABC.S470861

Sudakshina Dutta, Arunkumar Subramanian, Vinoth Kumarasamy, Tamilanban T, M Yasmin Begum, Mahendran Sekar, Vetriselvan Subramaniyan, Siew Hua Gan, Ling Shing Wong, Adel Al Fatease, Yuan Seng Wu, Amrita Muralikrishnan

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引用次数: 0

Abstract

Background: Globally, stroke is a major contributor to disability and a leading cause of death. Stroke is more frequent in underdeveloped countries, where ischemic stroke is one of the most common kinds. Therefore, it is imperative to unravel the processes of ischemic stroke in more depth and develop novel therapeutics to combat the condition. Polyphenols provide a significant preventive role against multiple diseases, including cancer, cardiovascular disorders, atherosclerosis, brain dysfunction, and stroke.

Methods: In the current investigation, computational tools including Swiss Target prediction, DisGeNET, SwissADME, pkCSM, Cytoscape, InterActiVenn, STRING database, and DAVID database were utilized to identify the signaling pathways, putative targets, along with associated genes of the polyphenols for stroke prevention.

Results: This study revealed the possible interactions between the disease targets for Stroke and the selected plant-based polyphenols. Docking results also exhibited the strong to moderate affinity of the selected ligands (Apigenin, Ellagic acid, Ferulic acid, Kaempferol, Genistein, Luteolin, Naringenin, and Quercetin) towards the selected disease target.

Conclusion: This study highlights the neuroprotective role of selected polyphenols through the PI3K/Akt pathway. Further studies are required to investigate additional molecular mechanisms between the polyphenols and their derivatives against pathological targets of Stroke.

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中风天然多酚的网络药理学：药物设计的生物信息学方法。

背景：在全球范围内，中风是导致残疾和死亡的主要原因。中风在不发达国家更为常见，其中缺血性中风是最常见的一种。因此，有必要更深入地揭示缺血性中风的过程，并开发新的治疗方法来对抗这种疾病。多酚对多种疾病有重要的预防作用，包括癌症、心血管疾病、动脉粥样硬化、脑功能障碍和中风。方法：本研究利用Swiss Target prediction、DisGeNET、SwissADME、pkCSM、Cytoscape、InterActiVenn、STRING数据库和DAVID数据库等计算工具，识别多酚预防脑卒中的信号通路、推测靶点以及相关基因。结果：本研究揭示了中风疾病靶点与选定的植物多酚之间可能的相互作用。对接结果还显示，所选配体（芹菜素、鞣花酸、阿魏酸、山奈酚、染料木素、木犀草素、柚皮素和槲皮素）对所选疾病靶点具有强至中等的亲和力。结论：本研究强调了所选多酚通过PI3K/Akt通路的神经保护作用。多酚及其衍生物对抗脑卒中病理目标的分子机制有待进一步研究。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Advances and Applications in Bioinformatics and Chemistry Biochemistry, Genetics and Molecular Biology-Biochemistry, Genetics and Molecular Biology (miscellaneous)

CiteScore

6.50

自引率

0.00%

发文量

审稿时长

16 weeks