Exploration of the treatment mechanism of Rehmanniae Radix Praeparata for Parkinson's disease, based on network pharmacology, molecular docking, and experimental validation

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Abstract

Parkinson's disease (PD) is the most rapidly increasing neurological disorder. At present, no therapy exists that modifies the disease to slow its progression. Rehmanniae Radix Praeparata (RRP) is a widely used traditional Chinese medicine (TCM) recognized for its neuroprotective and antioxidant properties. However, the specific mechanisms of RRP against PD remains unclear. Our research seeks to explore the molecular processes involved in RRP therapy for PD using network pharmacology, molecular docking, and experimental validation, thereby offering insights for future research. A range of network pharmacology approaches was used to explore key targets and potential mechanisms. Molecular docking was conducted to determine the combinations of the active components and core target genes. We pinpointed 108 shared target genes for RRP treatment of PD. Biological functions of these targets were primarily enriched in oxidative stress and estrogen signaling. Ten hub genes, namely ESR1, HSP90AA1, ICAM1, PPARG, PRKACA, COL1A1, ACHE, LYZ, SLC6A2, and GLA were further investigated and identified. The optimal docking combinations identified were raffinose with ICAM1/GLA, stigmasterol with PRKACA/SLC6A2, sucrose with PPARG/COL1A1, and HMF with ACHE/LYZ. HSP90AA1 and activated CD8 T cells exhibited the most significant positive correlation. To validate the correctness of our simulation computations, we assessed the role of RRP in the target genes through a PD mouse model and a MPP + -induced SH-SY5Y cells. Animal and cell experiments demonstrated that RRP and its three key ingredients significantly ameliorated PD symptoms, oxidative stress-related indicators and the expression of hub genes. This research offers a mechanistic basis for the therapeutic potential of RRP in Parkinson's Disease, directing future experimental and clinical studies.

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