Exploring Quinovic Acid as a potential lung cancer therapy: Insights from network pharmacology and molecular docking
DOI:
https://doi.org/10.70066/jahm.v13i5.1873Keywords:
Lung cancer, quinovic acid, network pharmacology, molecular docking, PI3K-AKT, BRAFAbstract
Background: Lung cancer is the predominant cause of cancer-related death globally, attributed to delayed diagnosis and limited therapeutic effectiveness. Natural chemicals provide potential avenues for the development of innovative cancer therapeutics. Objective: This study seeks to investigate the anticancer efficacy of quinovic acid in lung cancer via a network pharmacology approach combined with molecular docking techniques. Methods: A network pharmacology analysis was conducted to discover the proteins targeted by Quinovic acid. The targets were also analysed for potential overlap with genes linked to lung cancer. A Protein-Protein Interaction (PPI) network was constructed to identify pivotal hub genes. Molecular docking simulations were conducted to evaluate the binding affinity of quinovic acid with the indicated targets. Results: Network pharmacology indicates that quinovic acid interacts with a diverse array of proteins, predominantly phosphatases (33.3%) and phosphodiesterases (26.7%). A substantial overlap of 49 genes was identified between quinovic acid targets and lung cancer-associated genes, suggesting potential therapeutic relevance. PPI analysis identified essential hub genes including TP53, EGFR, KRAS, BRAF, and PIK3CA, which are involved in significant signalling pathways such as PI3K-AKT, MAPK, and apoptosis. Computer-simulated ligand binding analyses demonstrated substantial binding affinities of quinovic acid, particularly with BRAF and PIK3CA (-9.2 kcal/mol). Conclusion: The results indicate that quinovic acid may inhibit cancer proliferation by altering many critical oncogenic pathways, rendering it a promising option for lung cancer treatment. Additional experimental validation is necessary to demonstrate its therapeutic effectiveness.
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