Network pharmacology analysis of phytochemicals in targeting cancer: A systems biology approach.

Abstract

e15130 Background: The intricate nature of cancer necessitates an integrative approach to uncover novel therapeutic strategies. Phytochemicals derived from medicinal plants offer a rich source of bioactive compounds with potential anti-cancer properties. Methods: This study utilises a network pharmacology framework to investigate the molecular mechanisms and multi-target effects of key phytochemicals, including quercetin, berberine, resveratrol, epigallocatechin gallate, salvianolic acids, and ginsenosides, against cancer pathways. Using a curated database of cancer-related targets, we employed molecular docking, ADMET profiling, and pathway enrichment analysis to identify and validate critical interactions between these phytochemicals and oncogenic pathways. Results: Gene Ontology (GO) analysis revealed significant enrichment in biological processes such as apoptosis regulation, cell cycle modulation, and oxidative stress responses. KEGG pathway mapping highlighted pivotal pathways, including PI3K-Akt, MAPK, and p53 signaling, as central nodes in the network, underscoring their role in tumour suppression and proliferation control. Moreover, systems pharmacology tools demonstrated the interconnectedness of phytochemicals in modulating mitochondrial function, cellular metabolism, and immune response which are recognized hallmarks of cancer progression. Conclusions: Our findings suggest that the multi-target and pleiotropic actions of these compounds are instrumental in mitigating cancer's complex pathophysiology. By integrating in silico predictions with experimental validations, we provide a blueprint for developing phytochemical-based combinatory therapies tailored to specific cancer types. This study not only advances our understanding of plant-derived compounds in oncology but also emphasizes the potential of network pharmacology as a transformative approach in drug discovery. We propose that future research and clinical trials should explore the therapeutic efficacy of these phytochemicals as part of multi-target regimens to improve treatment outcomes.