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This study elucidates the chemical profile of BLC and its potential therapeutic mechanism in thyroiditis, leveraging network pharmacology and molecular docking techniques. Utilizing ultra\u2010high\u2010performance liquid chromatography coupled with linear trap\u2010Orbitrap mass spectrometry (UHPLC\u2010LTQ\u2010Orbitrap MS), 58 compounds were identified, the majority of which were nucleosides and amino acids. Utilizing the ultra\u2010high\u2010performance liquid chromatography coupled with triple quadrupole tandem mass spectrometry (UHPLC QqQ MS\/MS) strategy, 16 representative active components from six batches of BLCs were simultaneously determined. Network pharmacology analysis further revealed that the active components included 5\u2032\u2010adenylate, guanosine, adenosine, cordycepin, inosine, 5\u2032\u2010guanylic acid, and <jats:sc>l<\/jats:sc>\u2010lysine. Targets with higher connectivity included AKT1, MAPK3, RAC1, and PIK3CA. The signaling pathways primarily focused on thyroid hormone regulation and the Ras, PI3K\/AKT, and MAPK pathways, all of which were\u00a0intricately linked to inflammatory immunity and hormonal regulation. Molecular docking analysis corroborated the findings from network pharmacology, revealing that adenosine, guanosine, and cordycepin exhibited strong affinity toward AKT1, MAPK3, PIK3CA, and RAC1. Overall, this study successfully elucidated the material basis and preliminary mechanism underlying BLC's intervention in thyroiditis, thus laying a solid basis for further exploration of its in\u2010depth mechanisms.<\/jats:p>","DOI":"10.1002\/bmc.5900","type":"journal-article","created":{"date-parts":[[2024,6,28]],"date-time":"2024-06-28T01:10:15Z","timestamp":1719537015000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Study on chemical profiling of bailing capsule and its potential mechanism against thyroiditis based on network pharmacology with molecular docking strategy"],"prefix":"10.1002","volume":"38","author":[{"given":"Mengxiao","family":"Wang","sequence":"first","affiliation":[{"name":"Institute of Chinese Materia Medica China Academy of Chinese Medical Sciences  Beijing 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