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The assessment of the mechanism of action of lauric acid in the context of oral cancer through integrative approach combining network pharmacology and molecular docking technology

  • Kirti Buva , Gauri M. Kumbhar ORCID logo , Ajinkya Deshmukh and Vaibhav Sunil Ladke ORCID logo EMAIL logo
Published/Copyright: February 5, 2024

Abstract

Objectives

Lauric acid has been investigated for its effects on various human cancer cell types, although limited research has been dedicated to its impact on oral cancer. In light of this, the objective of our study was to comprehensively assess the anticancer properties of lauric acid specifically in the context of oral cancer. This evaluation was achieved through an in-silico approach, leveraging network analysis techniques. By employing this methodology, we aimed to gain valuable insights into the potential therapeutic benefits of lauric acid for treating oral cancer.

Methods

The in-silico analysis involved determination of drug-likeness prediction, prediction of common targets between oral cancer and LA, protein–protein interactions (PPI), hub genes, top 10 associated pathways by gene ontology (GO), Kyoto Encyclopaedia of Genes and Genomes (KEGG) pathway, molecular docking experiments.

Results

Our study pinpointed 23 common genes involved in critical cellular processes, including proliferation, apoptosis regulation, PI3K AKT cascade, and cell cycle control. Among them, CXCL8, MMP9, PPARA, MAPK1, and AR stood out in the top 10 pathways, particularly in the PI3K/AKT signaling pathway. This highlights the potential role of lauric acid in oral cancer treatment through the PI3K/AKT pathway and calls for further exploration of this mechanism.

Conclusions

Our study highlights lauric acid’s promising anticancer properties through computational analysis, offering a foundation for future research in cancer treatment development. This approach combines molecular insights with in-silico methods, paving the way for identifying therapeutic compounds and understanding their mechanisms. Lauric acid holds potential as a chemotherapeutic agent, opening up new avenues for cancer therapy exploration.


Corresponding author: Dr. Vaibhav Sunil Ladke, MDS, Ph.D. Dr. D. Y. Patil Medical College, Hospital and Research Center, Dr. D. Y. Patil Vidyapeeth, Sant Tukaram Nagar, Pimpri, Pune 411018, India, Phone: 9923132047, E-mail:

  1. Research ethics: Not applicable.

  2. Informed consent: Not applicable.

  3. Author contributions: Kirti Bua: Methodology, Data curation, Software, Formal analysis, Writing – original draft. Gauri Kumbhar: Methodology, Data curation, Software, Formal analysis, Writing – original draft. Ajinkya Deshmukh: Writing – review & editing. All authors approved the submitted manuscript. Vaibhav Ladke: Conceptualization, Formal analysis, Investigation, Validation, Writing original draft.

  4. Competing interests: The authors state no conflict of interest.

  5. Research funding: None declared.

  6. Data availability: The raw data can be obtained on request from the corresponding author.

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Received: 2023-09-15
Accepted: 2024-01-03
Published Online: 2024-02-05

© 2024 Walter de Gruyter GmbH, Berlin/Boston

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