Cytotoxicity of Blumea balsamifera on A549 Lung Cancer Cells: Integrating in Vitro Analysis with Computational Study of AKT-1 Inhibition
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Abstract
Lung cancer is the second leading cause of death worldwide, necessitating the exploration of novel therapeutic agents. This research investigates the potential of Blumea balsamifera L. extract (BBE) as an anti-lung cancer agent by examining its cytotoxic effects on A549 lung cancer cells and exploring its bioactive compounds' interactions with key target proteins involved in cancer cell growth. A549 cells were treated with BBE at concentrations of 0, 25, 50, and 100 µg/mL, and cytotoxicity was evaluated using the WST-1 assay. In silico analyses were performed, including data mining, bioactivity prediction, protein target identification, molecular docking, and molecular dynamics simulations. The results demonstrated that BBE exhibited cytotoxic activity against A549 cells, with an IC50 value of 124.92 ± 13.24 µg/mL. Computational studies supported these findings, indicating that BBE targets the AKT-1 protein, a critical regulator of cancer cell growth and survival. Among the bioactive compounds identified, rutin, eriodictyol, and ombuin showed the strongest binding affinities and stable interactions with AKT-1, suggesting their potential as anticancer agents. This study provides a comprehensive understanding of the cytotoxic effects of BBE on A549 lung cancer cells, validated through both in vitro and in silico methodologies, and highlights the potential of BBE as a promising therapeutic candidate for lung cancer treatment.
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