Abstract
Plant secondary metabolites play fundamental roles in plant defense and environmental adaptation, and possess extensive high-value applications in medicine, agriculture, and industrial biotechnology. The cytochrome P450 (CYPs) family occupies a central position in metabolic networks by catalyzing key reactions in the biosynthesis of terpenoids, alkaloids, and flavonoids. Although the role of CYPs in these pathways is well documented, their precise catalytic mechanisms and regulatory networks remain poorly characterized. In this review, we summarize recent advances in CYP classification, structural features, and catalytic diversity across plant species. We also analyze the transcriptional regulation and environmental signals that control CYP gene expression. Based on this synthesis, we propose an integrated strategy combining CYP enzyme engineering with metabolic pathway optimization to enhance the sustainable production of valuable secondary metabolites. Furthermore, we outline how CYP-centered approaches can improve the quality of medicinal plants and enable scalable bioreactor-based production. Interdisciplinary collaboration, supported by emerging technologies such as synthetic biology and machine learning, will be essential to overcome current limitations in CYP functional characterization, providing both mechanistic insights and practical solutions for the large-scale production of plant-derived natural products.