{"title":"Network Pharmacology and Molecular Docking Analysis Reveal the Therapeutic Potential of Artemisia annua L. in Systemic Lupus Erythematosus","authors":"Wenqin Huang , Jinhe Xiong","doi":"10.1016/j.hermed.2025.101013","DOIUrl":null,"url":null,"abstract":"<div><h3>Introduction</h3><div><em>Artemisia annua L.</em>, a traditional Chinese herb, has been used to manage inflammatory diseases, including systemic lupus erythematosus (<strong>SLE</strong>). However, its active components and molecular mechanisms in treating SLE remain unclear.</div></div><div><h3>Methods</h3><div>Active compounds were identified using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform with criteria of drug-likeness ≥0.18 and oral bioavailability ≥30%. SLE-related genes were retrieved from DrugBank, Online Mendelian Inheritance in Man, Therapeutic Target Database, and GeneCards using the search term ‘systemic lupus erythematosus.’ Protein–protein interaction networks were constructed using Search Tool for the Retrieval of Interacting Genes/Proteins, and the Kyoto Encyclopaedia of Genes and Genomes and Gene Ontology enrichment analyses were performed via the DAVID platform. Molecular docking was conducted using AutoDock software.</div></div><div><h3>Results</h3><div>Eight core disease-related genes and five key active compounds were identified through topological analysis. Gene ontology and kyoto encyclopaedia of genes and genomes analyses indicated that the compounds primarily influenced cancer development risk, negative regulation of cell death, and related signalling pathways. Molecular docking confirmed strong binding affinities between key phytochemicals and core SLE targets .</div></div><div><h3>Conclusions</h3><div>The active compounds identified in this study target the following genes: interleukin-6, tumour protein p53, epidermal growth factor receptor, protein kinase B, interleukin-1 beta, tumour necrosis factor, jun proto-oncogene, and B-cell lymphoma 2, which regulate inflammation, T-cell differentiation, and apoptosis. These findings suggest <em>Artemisia annua L.</em> is a source of multitarget therapeutic agents for SLE, warranting further experimental validation.</div></div>","PeriodicalId":56077,"journal":{"name":"Journal of Herbal Medicine","volume":"51 ","pages":"Article 101013"},"PeriodicalIF":2.2000,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Herbal Medicine","FirstCategoryId":"3","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2210803325000247","RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"INTEGRATIVE & COMPLEMENTARY MEDICINE","Score":null,"Total":0}
引用次数: 0
Abstract
Introduction
Artemisia annua L., a traditional Chinese herb, has been used to manage inflammatory diseases, including systemic lupus erythematosus (SLE). However, its active components and molecular mechanisms in treating SLE remain unclear.
Methods
Active compounds were identified using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform with criteria of drug-likeness ≥0.18 and oral bioavailability ≥30%. SLE-related genes were retrieved from DrugBank, Online Mendelian Inheritance in Man, Therapeutic Target Database, and GeneCards using the search term ‘systemic lupus erythematosus.’ Protein–protein interaction networks were constructed using Search Tool for the Retrieval of Interacting Genes/Proteins, and the Kyoto Encyclopaedia of Genes and Genomes and Gene Ontology enrichment analyses were performed via the DAVID platform. Molecular docking was conducted using AutoDock software.
Results
Eight core disease-related genes and five key active compounds were identified through topological analysis. Gene ontology and kyoto encyclopaedia of genes and genomes analyses indicated that the compounds primarily influenced cancer development risk, negative regulation of cell death, and related signalling pathways. Molecular docking confirmed strong binding affinities between key phytochemicals and core SLE targets .
Conclusions
The active compounds identified in this study target the following genes: interleukin-6, tumour protein p53, epidermal growth factor receptor, protein kinase B, interleukin-1 beta, tumour necrosis factor, jun proto-oncogene, and B-cell lymphoma 2, which regulate inflammation, T-cell differentiation, and apoptosis. These findings suggest Artemisia annua L. is a source of multitarget therapeutic agents for SLE, warranting further experimental validation.
期刊介绍:
The Journal of Herbal Medicine, the official journal of the National Institute of Medical Herbalists, is a peer reviewed journal which aims to serve its readers as an authoritative resource on the profession and practice of herbal medicine. The content areas of the journal reflect the interests of Medical Herbalists and other health professionals interested in the clinical and professional application of botanical medicines. The objective is to strengthen the research and educational base of herbal medicine with research papers in the form of case studies, original research articles and reviews, monographs, clinical trials and relevant in vitro studies. It also publishes policy statements, opinion pieces, book reviews, conference proceedings and profession related information such as pharmacovigilance reports providing an information source for not only the Herbal Practitioner but any Health professional with an interest in phytotherapy.