Network Pharmacology and Molecular Docking-Based Strategy to Investigate the Multitarget Mechanisms of Shenqi Yizhi Granule on Alzheimer’s Disease

Abstract

Background. Traditional Chinese herbal medicine draws more attention to explore an effective therapeutic strategy for Alzheimer’s disease (AD). Shenqi Yizhi granule (SQYG), a Chinese herbal recipe, has been applied to ameliorate cognitive impairment in mild-to-moderate AD patients. However, the overall molecular mechanism of SQYG in treating AD has not been clarified. Objective. This study aimed to investigate the molecular mechanism of SQYG on AD using an integration strategy of network pharmacology and molecular docking. Methods. The active compounds of SQYG and common targets between SQYG and AD were screened from databases. The herb-compound network, compound-target network, and protein-protein interaction network were constructed. The enrichment analysis of common targets and molecular docking were performed. Results. 816 compounds and 307 common targets between SQYG and AD were screened. KEGG analysis revealed that common targets were mainly enriched in lipid metabolism, metal ion metabolism, IL-17 signaling pathway, GABA receptor signaling, and neuroactive ligand-receptor interaction. Molecular docking analysis showed high binding affinity between ginsenoside Rg1 and Aβ1–42, tanshinone IIA and BACE1, baicalin, and AchE. Conclusions. The therapeutic mechanisms of SQYG on AD were associated with regulating lipid metabolism, metal ion metabolism, IL-17 signaling pathway, and GABA receptor signaling. Ginsenoside Rg1, tanshinone IIA, baicalin, astragaloside IV, and folic acid may play an important role in AD treatment.

Herbal medicines in Alzheimer’s disease and the involvement of gut microbiota

“…Other possible molecular mechanisms of SQYG were investigated through an integration strategy of network pharmacology and molecular docking. The results showed that therapeutic mechanisms of SQYG involved regulating lipid metabolism, metal ion metabolism, interleukin signaling pathways, and neurotransmitter receptor mediated signaling pathways ( An et al, 2018 ; Wang L. et al, 2022 ). Whether SQYG has a modulatory effects on gut microbiota and their metabolites is one of the specific mechanisms influencing AD progression that still need to be further investigated.…”

Alpiniae oxyphyllae fructus possesses neuroprotective effects on H2O2 stimulated PC12 cells via regulation of the PI3K/Akt signaling Pathway

“…Alpiniae oxyphyllae fructus (AOF), which also called ‘Yizhi’, is the dry ripe fruit of Alpinia oxyphylla Miq. has a long history of application in traditional clinical Chinese medicine ( Wang et al, 2022 ). In traditional Oriental medicine, AOF is widely used in vomiting, diarrhea, frequent urination, spermatorrhea and so on ( Wang et al, 2022 ).…”

“…has a long history of application in traditional clinical Chinese medicine ( Wang et al, 2022 ). In traditional Oriental medicine, AOF is widely used in vomiting, diarrhea, frequent urination, spermatorrhea and so on ( Wang et al, 2022 ). As research on AOF continues, there are more chemical components identified from AOF, which contains essential oils, sesquiterpenes (e.g., Nootkatone), flavones (e.g., Tectochrysin, Izalpinin, Chrysin, and Kaempferide), diarylheptanoids (e.g., TYakuchinone A and B and Oxyphyllacinol), glycosides, steroids and so on ( Chen et al, 2014 ; Zhang et al, 2015 ).…”

“…In addition, more effects of AOF have been reported, such as, anti-cancer, anti-inflammatory, analgesic, anti-allergic, insecticidal, anti-parasitic, anti-microbial and anti-oxidant properties ( Yu et al, 2003 ; Zhang et al, 2011 ; Chang et al, 2017 ; Qi et al, 2019 ). Similarly, AOF was surprisingly found to have anti-AD effects, such as Shenqi Yizhi Decoction and Yizhi Decoction ( Liu and Hong, 2017 ; Wang et al, 2022 ). However, up to now, there is a lack of research on the effective chemical components of AOF for the treatment of AD and their related mechanisms.…”