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Description

ABSTRACT:

Purpose: Oral metastases are relatively rare. In women, the most common oral metastases originate from breast cancer, the most diagnosed malignancy, and the second leading cause of death. Sargassum is a genus of brown algae which exhibits its natural therapeutic potential with anticancer properties. This study aimed to identify a therapeutic target for OSCC metastasized from breast cancer through network pharmacology and to evaluate potent phytochemicals against the identified target.

Methods: DEGs associated with OSCC and breast cancer were obtained from the Gene Expression Omnibus. The upregulated DEGs were then intersected to identify common targets between OSCC and BC. Simultaneously, compounds from Sargassum were collected from the CMNPD database, and their targets were predicted using the databases. Subsequently, networks illustrating compound–target and target–disease interactions, as well as protein-protein interactions (PPI) among targets, were constructed. MCODE analysis, gene ontology (GO), and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment were carried out. Further screening of phytochemicals from Sargassum sp of brown algae involved ADME, molecular docking, molecular dynamics (MD) simulation, MM-GBSA, and quantum mechanics against the identified targets.

Results: A total of 5172 significant common upregulated DEGs were identified from datasets related to OSCC and breast cancer in geo databases. These findings suggest promising core targets identified through a protein-protein interaction network. Enrichment analysis of GO and KEGG pathways revealed potential involvement in inflammation, MyD88-independent, death receptor signaling, PIP3 activating, AKT signaling, and MAPK1/MAPK3 signaling pathways. Molecular docking and dynamics simulations further indicated strong binding affinity between active compounds and these potential core targets.

Conclusion: In the field of medicine, it's crucial to find effective cancer treatments. This study focused on identifying natural phytochemicals in Sargassum (brown algae) for potential use against OSCC metastasized from breast cancer. The preference for these natural compounds over synthetic drugs is emphasized. Further research on animal models may validate these findings, offering a promising approach for addressing OSCC metastasized breast cancer in translational medicine.

Disciplines

Bioinformatics | Biotechnology | Marine Biology

Document Type

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Investigating the phytochemicals in Sargassum (Brown algae) against the therapeutic targets of Oral Squamous Cell Carcinoma Metastasized from Breast: An Approach

ABSTRACT:

Purpose: Oral metastases are relatively rare. In women, the most common oral metastases originate from breast cancer, the most diagnosed malignancy, and the second leading cause of death. Sargassum is a genus of brown algae which exhibits its natural therapeutic potential with anticancer properties. This study aimed to identify a therapeutic target for OSCC metastasized from breast cancer through network pharmacology and to evaluate potent phytochemicals against the identified target.

Methods: DEGs associated with OSCC and breast cancer were obtained from the Gene Expression Omnibus. The upregulated DEGs were then intersected to identify common targets between OSCC and BC. Simultaneously, compounds from Sargassum were collected from the CMNPD database, and their targets were predicted using the databases. Subsequently, networks illustrating compound–target and target–disease interactions, as well as protein-protein interactions (PPI) among targets, were constructed. MCODE analysis, gene ontology (GO), and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment were carried out. Further screening of phytochemicals from Sargassum sp of brown algae involved ADME, molecular docking, molecular dynamics (MD) simulation, MM-GBSA, and quantum mechanics against the identified targets.

Results: A total of 5172 significant common upregulated DEGs were identified from datasets related to OSCC and breast cancer in geo databases. These findings suggest promising core targets identified through a protein-protein interaction network. Enrichment analysis of GO and KEGG pathways revealed potential involvement in inflammation, MyD88-independent, death receptor signaling, PIP3 activating, AKT signaling, and MAPK1/MAPK3 signaling pathways. Molecular docking and dynamics simulations further indicated strong binding affinity between active compounds and these potential core targets.

Conclusion: In the field of medicine, it's crucial to find effective cancer treatments. This study focused on identifying natural phytochemicals in Sargassum (brown algae) for potential use against OSCC metastasized from breast cancer. The preference for these natural compounds over synthetic drugs is emphasized. Further research on animal models may validate these findings, offering a promising approach for addressing OSCC metastasized breast cancer in translational medicine.