Unveiling the Anticancer Potential of Syzygium cumini: In Silico Insights into its Mechanistic Action Against Non-Small Cell Lung Cancer

Non-small cell lung carcinoma (NSCLC) is the most periodic type of lung cancer and the second most diagnosed cancer globally. Syzygium cumini is plant that extensively used in cuisine and traditional medicine. However, its potential for NSCLC treatment has not yet been elucidated. This study determined the potential of S. cumini as anti-NSCLC using in silico approaches. The in silico study was applied to perform active compound analysis, selection of target candidates, network pharmacology, functional annotation, molecular docking, and molecular dynamics simulation, respectively. Based on open source databases, S. cumini contained 115 compounds and 14 of them predicted to have anticancer activity. There were 617 genes acquired of target genes which related to NSCLC. Only 11 of them were core target genes including PIK3CA, CDK4, and SRC through key BP and KEGG pathways. Anticancer activity through in silico study was corroborated by molecular docking and dynamic simulations. Collectively, S. cumini can treat NSCLC via multi-target, multi-pathway strategies and improve NSCLC prognosis. Further S. cumini for NSCLC treatment could be recommended from this finding with additional approaches using in vitro and in vivo analyses.