Molecular Mechanism Discovery of Acacetin Against Cancers: Insights from Network Pharmacology and Molecular Docking

Acacetin, a naturally occurring flavonoid, has attracted increasing attention due to its broad anticancer potential. In vitro and in vivo studies using diverse tumor models have demonstrated that acacetin modulates oncogenic signaling, suppresses angiogenesis, and induces apoptosis and other regulated cell death pathways. With the rising demand for multi-target therapeutics, network pharmacology and molecular docking have emerged as powerful tools to unravel the complex molecular mechanisms of phytochemicals. This review integrates computational network analysis with molecular docking and experimental validation, revealing that acacetin directly targets critical oncogenic proteins such as the epidermal growth factor receptor (EGFR), signal transducer and activator of transcription 3 (STAT3), and the serine/threonine kinase AKT, also known as protein kinase B (PKB). These findings indicate a multi-target mode of action across key oncogenic pathways, underscoring the role of acacetin as a multi-target agent capable of interfering with several cancer hallmarks. By combining systems biology approaches with experimental evidence, this review provides a comprehensive perspective on the pharmacological profile of acacetin and highlights its potential as a promising candidate for the future development of cancer therapy.