新发传染病电子杂志2025，Vol.10Issue(3)：40-46,7.DOI:10.19871/j.cnki.xfcrbzz.2025.03.007
甘草酸及其衍生物靶向人副流感病毒与风疹病毒的作用机制研究:生物信息学分析
Study on the mechanisms of glycyrrhizic acid and its derivatives targeting human parainfluenza virus and rubella virus:bioinformatics analysis
摘要
Abstract
Objective This study aimed to explore the potential antiviral mechanisms of glycyrrhizic acid(GL)and its derivatives,including glycyrrhetinic acid(GA),ammonium glycyrrhizinate(AG),sodium glycyrrhizinate(SG),and dipotassium glycyrrhizinate(DG),against human parainfluenza virus(HPIV)and rubella virus(RuV)to provide a theoretical basis for the development of novel antiviral therapies.Method Modern bioinformatics methods were used.First,the possible target proteins of GL and its derivatives were predicted through the Super-PRED database.Next,gene ontology(GO)and Kyoto encyclopedia of genes and genomes(KEGG)functional enrichment analyses were performed to reveal the biological processes and signaling pathways of the target proteins.Key target proteins were identified through protein-protein interaction(PPI)analysis,and molecular docking studies were conducted to evaluate the binding affinity of GL and its derivatives to target proteins.Result The analysis showed that GL and its derivatives were predicted to have potential interactions with 59 respiratory virus target proteins.Among them,signal transducer and activator of transcription 3(STAT3),Toll-like receptor 4(TLR4),complement C5a receptor 1(C5AR1),and nuclear factor kappa B subunit 1(NFKB1)played important roles in HPIV and RuV infections.These target proteins showed participation in multiple signaling pathways,including immune regulation and inflammatory responses.Molecular docking showed that GL bound to C5AR1 and STAT3,AG bound to C5AR1,and DG bound to STAT3 with high binding affinity.Conclusion GL and its derivatives exhibit antiviral activity against HPIV and RuV through a multi-target mechanism.This study provides theoretical support for the application of GL in antiviral therapy and indicates its potential value as a multi-target therapeutic agent.关键词
甘草酸/衍生物/人副流感病毒/风疹病毒/蛋白质互作网络/分子对接/生物信息学Key words
Glycyrrhizic acid/Derivative/Human parainfluenza virus/Rubella virus/Protein-Protein Interaction/Molecular docking/Bioinformatics分类
医药卫生引用本文复制引用
徐静,陈尚,王娴玮,贾舒,范绪涛..甘草酸及其衍生物靶向人副流感病毒与风疹病毒的作用机制研究:生物信息学分析[J].新发传染病电子杂志,2025,10(3):40-46,7.基金项目
山东省中医药科技面上项目(M-2023121) （M-2023121）
