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| Mechanism study of Huanglian Jiedu Decoction in the treatment of Staphylococcus aureus pneumonia |
| Hits 17 Download times 3 Received:October 25, 2024 |
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| DOI
10.11656/j.issn.1672-1519.2025.04.16 |
| Key Words
Huanglian Jiedu Decoction;Staphylococcus aureus pneumonia;network pharmacology;molecular docking |
| Author Name | Affiliation | | XIAO Ning | Handan Central Hospital, Handan 056001, China | | DUAN Huanhuan | Handan Central Hospital, Handan 056001, China | | WANG Yun | Handan Central Hospital, Handan 056001, China |
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| Abstract
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| [Objective] To investigate the mechanism of action of Huanglian Jiedu Decoction in the treatment of Staphylococcus aureus pneumonia by molecular docking technology. [Methods] Relying on the platform of the Chinese natural products chemical composition library，we screened out the main chemical components and corresponding targets of Huanglian Jiedu Decoction，and constructed the network relationship of “drug-disease-target” by using Cytoscape software，and imported the main components of the drug and the intersecting targets of the disease into the STRING platform to construct the Protein-Protein-Interaction（PPI） network. The main components of the drug and the intersecting targets of the disease were imported into the STRING platform to construct a PPI network. Combined with the results of network pharmacology and molecular docking，a rat model of staphylococcus aureus pneumonia was constructed，and 90 rats were randomly divided into the normal group，the model group，the vancomycin group，the Huanglian Jiedu Decoction low-dose group，the Huanglian Jiedu Decoction medium-dose group，and the Huanglian Jiedu Decoction high-dose group，with 15 rats in each group. Except for the normal group，the other groups were prepared as Staphylococcus aureus pneumonia rat models，and each group was gavaged with the corresponding drugs for 4 d. The model group，the vancomycin group，and the Huanglian Jiedu Decoction low-，medium-，and high-dose groups were constructed as the staphylococcus aureus pneumonia rat models，and the normal group and the model group were gavaged with 2 mL of physiological saline，once a day，while the vancomycin group was gavaged with 0.2 g/mL vancomycin solution in 2 mL，and the Huanglian Jiedu Decoction low-，medium-，and high-dose group was gavaged with 2 mL of physiological saline. Huanglian Jiedu Decoction low，medium，and high dose groups were given 0.5，1.0，and 2.0 g/mL Huanglian Jiedu Decoction 2 mL by gavage once a day，respectively. After 4 d of drug administration，the levels of interleukin 1β（IL-1β），interleukin 6（IL-6），and tumor necrosis factor α（TNF-α） were detected by enzyme-linked immunosorbent assay（ELISA），and the levels of estrogen receptor 1（ESR1），gluconeogenic synthase kinase 3β（GSK3B），rat β-conjugated hormone（CTNNB），oligofructose（FOS），Jun proto-oncogene（JUN） and peroxisome proliferator-activated receptor γ（PPARG） protein expression. [Results] 167 active ingredients of Huanglian Jiedu Decoction were screened，with 125 active targets，1 668 targets related to Staphylococcus aureus pneumonia，and 50 intersecting targets KEGG analysis showed that the active ingredients of Huanglian Jiedu Decoction were mainly involved in a series of biological reactions，such as signal transduction，oxidative stress，apoptosis，etc.，and were mainly involved in the regulation of the targets，such as ESR1，GSK3B，CTNNB，FOS，JUN，and PPARG. And PPARG. The molecular docking results showed that the main active ingredients obtained from the screening had strong binding with the targets. Compared with the model group，the colony counts，IL-1β，IL-6，TNF-α，CTNNB，FOS，and JUN of rat lung tissues in the low，medium，and high dose groups of Huanglian Jiedu Decoction were decreased（P<0.05），and ESR1，GSK3B，and PPARG were increased（P<0.05）. [Conclusion] Huanglian Jiedu Decoction have a positive effect on the treatment of Staphylococcus aureus pneumonia，and its mechanism of action might be related to the regulation of the ESR1/NLRP3/Caspase-1 signaling pathway，GSK3B/Nrf2 signaling pathway，CTNNB signaling pathway，FOS signaling pathway，JUN signaling pathway，and PPARG signaling pathway. |
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