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Article Publish Status: FREE
Abstract Title:

Network Pharmacology to Explore the Molecular Mechanisms offor Treating Hashimoto's Thyroiditis.

Abstract Source:

Front Pharmacol. 2021 ;12:700896. Epub 2021 Oct 6. PMID: 34690752

Abstract Author(s):

Xiao-Xiong Gan, Lin-Kun Zhong, Fei Shen, Jian-Hua Feng, Ya-Yi Li, Si-Jing Li, Wen-Song Cai, Bo Xu

Article Affiliation:

Xiao-Xiong Gan

Abstract:

(), 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's thyroiditis (HT) using network pharmacology and molecular docking technology to provide some basis for experimental research.Ingredients of theformula 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-protein 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 ofwere enriched and analyzed by molecular docking verification, Gene Ontology (GO), and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment.The compound-target network included 11 compounds and 66 target genes. Key targets contained Jun proto-oncogene ()hsp90aa1.1 ()mitogen-activated protein kinase 1 ()and tumor protein p53 (). The main pathways included the AGE-RAGE signaling pathway, the TNF signaling pathway, the PI3K-Akt signaling pathway, and the mitogen-activated protein kinase signaling pathway. The molecular docking results revealed that the main compound identified in thewas luteolin, followed by kaempferol, which had a strong affinity for HT.Molecular docking studies indicated that luteolin and kaempferol were bioactive compounds ofand might play an essential role in treating HT by regulating multiple signaling pathways.

Study Type : In Vitro Study

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