Analysis on the clinical efficacy of compound pubescent holly root in the treatment of HSV-1 infection and investigation on the function mechanism
Objective To analyze the clinical efficacy of compound pubescent holly root granule in the treatment of herpes simplex virus type Ⅰ(HSV-1)infection,so as to investigate its function mechanism through network pharmacology and molecular docking.Methods A total of 380 pediatric patients with herpesvirus gingivitis admitted to Affiliated Women and Children's Medical Center of Guangzhou Medical University from January 2020 to February 2023 were randomly selected for clinical research,and they were divided into the observation group and the control group.The observation group was treated with oral administration of compound pubescent holly root,while the control group was treated with oral administration of acyclovir.The general data of patients were collected,the drug treatment efficacy,treatment time and other indices were observed and statistically counted.Effective active ingredients and corresponding targets were screened by mechanism research through the BATMAN-TCM database,and disease targets were obtained through the GeneCards database.Protein-protein interaction(PPI)network was constructed by using STRING database and Cytoscape.DAVID database was used for enrichment analysis of gene outology(GO)and Kyoto encyclopedia of genes and genomes(KEGG)pathways.The key active ingredients and core targets were verified by molecular docking with AutoDock and Pymol.Results The recovery rate of compound pubescent holly root in the treatment of herpesvirus gingivitis was higher than that of acyclovir(P＜0.05).In this research,40 active ingredients of compound pubescent holly root were obtained,with 1,399 targets and 213 intersecting targets with HSV-1 infection.GO function enrichment resulted in 1,016 entries,and KEGG pathway enrichment analysis resulted in 174 signal pathways.Molecular docking showed that there was relatively strong affinity between key ingredients and core targets.Betulin,quinazolinone,adenosine and other key components in compound pubescent holly root might exert their anti-HSV-1 virus infection effects by acting on core targets such as TP53,RELA,M-APK3 and interfering with signal pathways such as cancer pathway,lipid and atherosclerosis,and human T-cell leukemia virus 1 infection.The binding ability between the core ingredients and the target was relatively good.Conclusion Compound pubescent holly root plays its role in the treatment of HSV-1 infection through various effective ingredients and different pathways,which has good clinical application prospects and research value.
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