Molecular Mechanisms of Melatonin for Treating Medullary Thyroid Cancer Using in silico Analysis

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dc.contributor.authorAkbaba, Emel
dc.date.accessioned2025-01-21T16:42:45Z
dc.date.available2025-01-21T16:42:45Z
dc.date.issued2024
dc.departmentKırıkkale Üniversitesi
dc.description.abstractMelatonin is a neuroendocrine hormone that regulates various biological functions. The objective of this work was to conduct a thorough assessment of the molecular targets of melatonin for the treatment of medullary thyroid carcinoma (MTC) via bioinformatics methods. The identification of target proteins for melatonin and MTC was accomplished through the utilization of many databases. A total of 359 gene targets were acquired, then subjected to gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analyses. The GO subjects indicated a strong association in kinase activity and receptor-ligand activity between the target genes. On the other hand, the KEGG enrichment analysis indicated a significant involvement of the target genes in the PI3K/AKT and MAPK signaling pathways. To identify key genes, an initial step involved the construction of a protein-protein network using the intersecting targets. Subsequently, Cytoscape software unveiled TP53, STAT3, AKT1, JUN, and IL6 as hub genes within the network. The interaction of melatonin and hub genes was validated by molecular docking analysis. The results indicated that melatonin had high binding affinities towards all of the hub genes, with the exception of JUN. The interaction of melatonin and AKT1 had-10.54 kcal/mol binding free energy with several H-bonds and hydrophobic interactions. Also, the melatonin/p53 complex revealed low binding free energy (-9.95 kcal/mol) with strong H-bond interactions. All the outcomes suggest that melatonin induces apoptosis in MTC cells through the PI3K/AKT and MAPK signaling pathways. Therefore, melatonin has the potential to serve as a powerful therapeutic drug for the treatment of MTC.
dc.identifier.doi10.13189/app.2024.120415
dc.identifier.endpage442
dc.identifier.issn2332-0036
dc.identifier.issn2332-0044
dc.identifier.issue4
dc.identifier.startpage430
dc.identifier.urihttps://doi.org/10.13189/app.2024.120415
dc.identifier.urihttps://hdl.handle.net/20.500.12587/25125
dc.identifier.volume12
dc.identifier.wosWOS:001330715600005
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.language.isoen
dc.publisherHorizon Research Publishing
dc.relation.ispartofAdvances In Pharmacology and Pharmacy
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_20241229
dc.subjectNetwork Pharmacology; Target Prediction; p53; AKT1; JUN; STAT3; TP53; IL6
dc.titleMolecular Mechanisms of Melatonin for Treating Medullary Thyroid Cancer Using in silico Analysis
dc.typeArticle

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