Study on the Mechanism of Gastrodiae Rhizoma, Lycii Fructus, and Ziziphi Spinosae Semen in Sedation and tranquilizing mind

Abstract

Abstract Method The chemical constituents and therapeutic targets of Gastrodiae Rhizoma, Lycii Fructus, and Ziziphi Spinosae Semen were acquired from TCMSP, HERB, and ETCM databases. Active components were identified using ADME criteria, while the primary targets associated with sedation and mental tranquility were obtained from GENECARDS, OMIM, and DRUGBANK databases. To investigate potential functional protein modules within the network, a protein-protein interaction (PPI) network analysis was conducted using the STRING platform. The METASCAPE platform was employed for the analysis of the "component-target" and its associated biological processes and pathways. Subsequently, the construction of the "component-target" network was accomplished using Cytoscape 3.9.1 software. Finally, the validation of molecular docking was conducted through AUTODOCK. Results: The findings revealed that Quercetin, Atropine, dauricine, (S)-Coclaurine, and other active ingredients were identified as the core constituents of Gastrodiae Rhizoma, Lycii Fructus, and Ziziphi Spinosae Semen. Additionally, PTGS2, PTGS1, MAOB, GABRA1, SLC6A2, ADRB2, CHRM1, HTR2A, and other targets were identified as the core targets. The results of the molecular docking analysis demonstrated that Quercetin, dauricine, and (S)-Coclaurine exhibited strong binding affinity towards PTGS2. The predominant biological pathways associated with sedation and tranquilization primarily involved neuroactive ligand-receptor interaction and activation of receptors involved in chemical carcinogenesis. This study provides initial findings on the multi-component, multi-target, and multi-pathway mechanism underlying the sedative and tranquilizing effects of Gastrodiae Rhizoma, Lycii Fructus, and Ziziphi Spinosae Semen. These findings have the potential to serve as a foundation for the future development and utilization of Gastrodiae Rhizoma, Lycii Fructus, and Ziziphi Spinosae Semen.