{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,14]],"date-time":"2026-07-14T07:01:52Z","timestamp":1784012512869,"version":"3.55.0"},"reference-count":49,"publisher":"Frontiers Media SA","license":[{"start":{"date-parts":[[2021,10,6]],"date-time":"2021-10-06T00:00:00Z","timestamp":1633478400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["frontiersin.org"],"crossmark-restriction":true},"short-container-title":["Front. Pharmacol."],"abstract":"<jats:p><jats:bold>Purpose:<\/jats:bold><jats:italic>Prunella vulgaris<\/jats:italic> (<jats:italic>PV<\/jats:italic>), a traditional Chinese medicine, has been used to treat patients with thyroid disease for centuries in China. The purpose of the present study was to investigate its bioactive ingredients and mechanisms against Hashimoto\u2019s thyroiditis (HT) using network pharmacology and molecular docking technology to provide some basis for experimental research.<\/jats:p><jats:p><jats:bold>Methods:<\/jats:bold> Ingredients of the <jats:italic>PV<\/jats:italic> formula were retrieved from the Traditional Chinese Medicine Systems Pharmacology (TCMSP) database. Additionally, HT-related genes were retrieved from the UniProt and GeneCards databases. Cytoscape constructed networks for visualization. A protein\u2013protein interaction (PPI) network analysis was constructed, and a PPI network was built using the Search Tool for the Retrieval of Interacting Genes (STRING) database. These key targets of <jats:italic>PV<\/jats:italic> were enriched and analyzed by molecular docking verification, Gene Ontology (GO), and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment.<\/jats:p><jats:p><jats:bold>Results:<\/jats:bold> The compound\u2013target network included 11 compounds and 66 target genes. Key targets contained Jun proto-oncogene (<jats:italic>JUN<\/jats:italic>)<jats:italic>,<\/jats:italic> hsp90aa1.1 (<jats:italic>AKI<\/jats:italic>)<jats:italic>,<\/jats:italic> mitogen-activated protein kinase 1 (<jats:italic>MAPK1<\/jats:italic>)<jats:italic>,<\/jats:italic> and tumor protein p53 (<jats:italic>TP53<\/jats:italic>). The main pathways included the AGE-RAGE signaling pathway, the TNF signaling pathway, the PI3K\u2013Akt signaling pathway, and the mitogen-activated protein kinase signaling pathway. The molecular docking results revealed that the main compound identified in the <jats:italic>Prunella vulgaris<\/jats:italic> was luteolin, followed by kaempferol, which had a strong affinity for HT.<\/jats:p><jats:p><jats:bold>Conclusion:<\/jats:bold> Molecular docking studies indicated that luteolin and kaempferol were bioactive compounds of <jats:italic>PV<\/jats:italic> and might play an essential role in treating HT by regulating multiple signaling pathways.<\/jats:p>","DOI":"10.3389\/fphar.2021.700896","type":"journal-article","created":{"date-parts":[[2021,10,7]],"date-time":"2021-10-07T10:58:19Z","timestamp":1633604299000},"update-policy":"https:\/\/doi.org\/10.3389\/crossmark-policy","source":"Crossref","is-referenced-by-count":37,"title":["Network Pharmacology to Explore the Molecular Mechanisms of Prunella vulgaris for Treating Hashimoto\u2019s Thyroiditis"],"prefix":"10.3389","volume":"12","author":[{"given":"Xiao-xiong","family":"Gan","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lin-kun","family":"Zhong","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fei","family":"Shen","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jian-hua","family":"Feng","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ya-yi","family":"Li","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Si-jing","family":"Li","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wen-song","family":"Cai","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bo","family":"Xu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1965","published-online":{"date-parts":[[2021,10,6]]},"reference":[{"key":"B1","doi-asserted-by":"publisher","first-page":"1702","DOI":"10.1210\/en.2010-1132","article-title":"Fragments of Genomic DNA Released by Injured Cells Activate Innate Immunity and Suppress Endocrine Function in the Thyroid","volume":"152","author":"Akira","year":"2011","journal-title":"Endocrinology"},{"key":"B2","first-page":"134","article-title":"Dose Administration Time from before Breakfast to before Dinner Affect Thyroid Hormone Levels?","volume":"6","author":"Ala","year":"2015","journal-title":"Caspian J. 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