Analysis of molecular mechanism of Bushen Huoxue granules in treating Parkinson's disease based on network pharmacology and molecular docking / 中国药理学通报

ABSTRACT

Aim To analyze the molecular mechanism of Bushen Huoxue granules in the treatment of Parkinson's disease by using network pharmacology as the main research method combined with molecular docking technology. Methods TCMSP was used to find the active ingredients of Bushen Huoxue granules, and ADME screening was performed. The obtained active ingredients and targets were combined with PD targets to obtain disease-drug co-action targets; STRING 11.0 was used to construct PPI protein interaction network for the obtained disease-drugs. The Metascape platform was used to analyze the enrichment of disease-drug target functions and pathways, and then Cytoscape 3.7. 1 was used to construct a network diagram of Bushen Huoxue granules-PD targets-action pathways; AUTODOCK and PYMOL software were used for molecular docking and visualization operations. Results The core active ingredients of Bushen Huoxue granules in treating PD were quercetin, luteolin, kaempferol, tanshinone, etc.; the main targets were PTGS2, PTGS1, SCN5A, ADRB2 and CHRM1, etc.; the main signaling pathways are PI3K/AKT, Toll, whose function was mainly to regulate cell apoptosis and neuroinflammatory response. Conclusion This study has initially revealed the mechanism of Bushen Huoxue granules in the multi-level and multi-step treatment of PD, laying a foundation for future animal experiments.