Exploring the Mechanisms of the Volatile Oil of the Flowers of Rehmannia piasezkii and Wild Rehmannia glutinosa against Cancer through GC-MSand Network Pharmacology

Introduction: Rehmannia (Dihuang) is a perennial herb plant of Rehmannia Libosch. in the Scrophulariaceae family. Rehmannia is one of the "Four Major Huaiqing Medicines". Its taste tropism is described as Gan (sweet), and it is considered non-toxic. The objective of this research is to investigate the differences in volatile compounds identified in flowers and to explore the mechanisms of Rehmannia piasezkii and wild Rehmannia glutinosa in cancer treatment. Methods: Gas Chromatography-Mass Spectrometry (GC-MS) and network pharmacology were used to analyze the differential volatile oil of the flowers of R. piasezkii and wild R. glutinosa (VOFRP and VOFWRG), and to predict their mechanism of action for cancer treatment through molecular docking techniques. Results: A total of 34 common compounds were identified in VOFRP and VOFWRG, including 6 esters, 7 ketones, 5 alkanes, 5 acids, and 2 alcohols. They had distinct chemical properties, with methyl linoleate and methyl oleate standing out as potential differentiated compounds. The key targets were identified by the network pharmacology and molecular docking studies as JAK1, SRC, PDGFRA, PIK3R1, PIK3CA, PDGFRB, PIK3CB, PIK3CD, EGFR, JAK2, and KDR. They had an anticancer effect by interfering with the prolactin signaling pathway, lipid and atherosclerosis, cancer, and prostate cancer. They also regulated tumor cell proliferation, differentiation, and apoptosis by interfering with other signaling pathways. Discussion: The findings offer research directions and data supporting the advancement of Rehmannia flower volatile oils for cancer therapeutics, particularly in developing R. piasezkii and wild R. glutinosa extracts. However, the network pharmacological and molecular docking results lack biological validation. Future experiments should verify whether Rehmannia can treat cancer through these key targets and pathways, thereby strengthening the reliability of these findings. Conclusion: This study investigates VOFRP and VOFWRG and examines their potential anticancer effects and mechanisms. It provides a scientific foundation for the development and utilization of the flowers of R. piasezkii and wild R. glutinosa (FRP and FWRG).