Study on the mechanisms of glycyrrhizic acid and its derivatives targeting human parainfluenza virus and rubella virus: bioinformatics analysis

doi:10.19871/j.cnki.xfcrbzz.2025.03.007

Abstract

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.

Key words: Glycyrrhizic acid, Derivative, Human parainfluenza virus, Rubella virus, Protein-Protein Interaction, Molecular docking, Bioinformatics

CLC Number:

R373.1

Xu Jing, Chen Shang, Wang Xianwei, Jia Shu, Fan Xutao. Study on the mechanisms of glycyrrhizic acid and its derivatives targeting human parainfluenza virus and rubella virus: bioinformatics analysis[J]. Electronic Journal of Emerging Infectious Diseases, 2025, 10(3): 40-46.

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