Combination of UHPLC-Q Exactive-Orbitrap MS, Bioinformatics and Molecular Docking to Reveal the Mechanism of Huan-Lian-Jie-Du Decoction in the Treatment of Diabetic Encephalopathy.
Chem Biodivers
; 20(9): e202300434, 2023 Sep.
Article
in En
| MEDLINE
| ID: mdl-37486314
ABSTRACT
Diabetic encephalopathy (DE) is a serious complication of diabetes, which affects patients' quality of life. We aimed to explore HLJDD in the treatment of DE by LC/MS and bioinformatics. UPLC-Q Exactive-Orbitrap MS was employed to clarify the compounds. The modules and hub targets of DE were gained from WGCNA. Subsequently, an Herb-Compound-Target network was constructed and enrichment analysis was used. In addition, a protein-protein interaction (PPI) network was constructed and molecular docking was used to verify the above analysis. As result, 138â
compounds and 10â
prototypes in brain were identified. In network pharmacology, 8â
modules and 5692â
hub targets were obtained from WGCNA. An Herb-Compound-Target network was constructed by 4â
herbs, 10â
compounds and 56â
targets. The enrichment analysis showed that the treatment of DE with HLJDD involve oxidative stress and neuroprotection. Beside, SRC, JUN, STAT3, MAPK1 and PIK3R1 were identified and as hub targets of HLJDD in treating DE. Moreover, Molecular docking showed that five hub targets had strong affinity with the corresponding alkaloids. Therefore, we explored the underlying mechanisms of HLJDD in the treatment of DE and to provide the theoretical and scientific basis for subsequent experimental studies and clinical applications.
Key words
Full text:
1
Database:
MEDLINE
Traditional Medicines:
Medicinas_tradicionales_de_asia
/
Medicina_china
Therapeutic Methods and Therapies TCIM:
Terapias_biologicas
Main subject:
Drugs, Chinese Herbal
/
Diabetes Mellitus
Language:
En
Journal:
Chem Biodivers
Year:
2023
Type:
Article
Affiliation country:
China