@Article{biocell.2023.029333,
AUTHOR = {SHIMING YE, YUFENG ZHANG, TING LIU, CONG WANG, ZHENG YAN, WANDONG SHE, HAIBING HUA},
TITLE = {Initial steps on the analysis of the underlying pharmacological mechanisms of Wendan decoction on sudden deafness using network pharmacology and molecular docking},
JOURNAL = {BIOCELL},
VOLUME = {47},
YEAR = {2023},
NUMBER = {9},
PAGES = {1947--1964},
URL = {http://www.techscience.com/biocell/v47n9/54284},
ISSN = {1667-5746},
ABSTRACT = {<b>Background: </b>Despite its widespread therapeutic use and effectiveness, the underlying pharmacologic
mechanisms of Wendan decoction (WDD) and how it works to treat sudden deafness (SD) remain unclear. In this
study, the pharmacological mechanisms of WDD underlying SD were analyzed using network pharmacology and
molecular docking. <b>Methods:</b> The Traditional Chinese Medicine Systems Pharmacology Database and Analysis
Platform (TCMSP) was employed to identify the active compounds and target genes of WDD, and genes associated
with SD were screened on five databases. RGUI conducted Gene Ontology (GO) functional and the Kyoto
Encyclopedia of Genes and Genomes (KEGG) enrichment analyses. A compound-target network was established
using Cytoscape, and the STRING database created a protein-protein interaction (PPI) network to identify the key
compounds and targets. Subsequently, a network of crucial compound-target was generated for further molecular
docking analysis. For molecular docking simulations of the macromolecular target proteins and their matching ligand
molecules, AutoDock Vina and AutoDockTool were utilized. <b>Results: </b>TCMSP identified 162 active target genes and
36 active compounds for WDD. The active target genes were compared with the 2271 genes associated with SD to
identify 70 intersecting active target genes linked to 34 active compounds. The GO functional enrichment and KEGG
pathway enrichment analyses were undertaken, and compound–target, and PPI networks were built. The key
compounds and protein targets were identified and integrated to form a key compound–target network. Eventually,
molecular docking was performed to investigate the interactions of the protein targets with their respective
compounds. <b>Conclusion:</b> This study highlights the mechanisms of multi-compounds, targets, and pathways of WDD
acting on SD and provides further evidence of crucial compounds and their matching target proteins of WDD acting
on SD.},
DOI = {10.32604/biocell.2023.029333}
}