1.Potential mechanisms of Ganmai Dazao Decoction for treating insomnia: an integration of network pharmacology, molecular docking, and molecular dynamics simulation
Jiaolong YU ; Xianhai LI ; Yao LIU ; Tanjun WEI ; Fei CHEN ; Delin ZHANG ; Runfeng ZHANG
Sichuan Mental Health 2025;38(6):519-527
BackgroundInsomnia, a common sleep disorder, is robustly associated with cardiovascular diseases, diabetes, and psychiatric disorders, substantially impairing quality of life. Although clinically commonly used medications are effective, long-term use may lead to drug resistance and dependence. While the efficacy of Ganmai Dazao Decoction in improving insomnia is definite, its underlying molecular mechanisms remain unclear. ObjectiveTo explore the active ingredients and core targets of Ganmai Dazao Decoction in the treatment of insomnia, systematically reveal its potential molecular pharmacological mechanism, and to provide references for clinical application. MethodsIn November 2024, the active ingredients and related targets of Ganmai Dazao Decoction were screened from the INPUT database. Insomnia-related datasets were acquired from the Gene Expression Omnibus (GEO) database, followed by differential expression analysis using GEO2R to identify differentially expressed genes (DEGs) associated with insomnia. The shared targets were obtained through Venn diagrams, and the protein-protein interaction (PPI) network was constructed using the STRING database and Cytoscape 3.9.1. Enrichment analyses were conducted on the shared targets using Gene Ontology (GO) and the Kyoto Encyclopedia of Genes and Genomes (KEGG). The top 3 key active ingredients and the top 10 core targets in terms of node degree values were selected. Molecular docking and molecular dynamics simulation of receptors and ligands were performed using AutoDock 4.4.6, and the results were visualized using Pymol 3.0.3 to further verify the stability of the receptor-ligand complex system. ResultsA total of 337 active ingredients and 5 265 drug-related targets in Ganmai Dazao Decoction were retrieved, along with 1 061 insomnia-related DEGs. 287 shared targets were identified between Ganmai Dazao Decoction and insomnia. The traditional Chinese medicine-active ingredients-shared targets-disease network showed that quercetin, catechins and kaempferol were the key components of Ganmai Dazao Decoction in treating insomnia. These three components alleviate insomnia by acting on ten core targets, including nuclear factor kappa B inhibitor alpha (NFKBIA), fibronectin 1 (FN1), interleukin-6 (IL6), protein c-Fos (FOS), histone acetyltransferase p300 (EP300), histone deacetylase 1 (HDAC1), transcription factor Jun (JUN), heat shock protein HSP 90-alpha 1 (HSP90AA1), glyceraldehyde 3-phosphate dehydrogenase (GAPDH), and interleukin-1 beta (IL1β). GO and KEGG enrichment analyses indicated that Ganmai Dazao Decoction may alleviate insomnia through the IL17 signaling pathways, lipid and atherosclerosis signaling pathways, and other mechanisms. The results of molecular docking demonstrated strong binding affinity between the 3 key components and the 10 core targets of Ganmai Dazao Decoction. Molecular dynamics simulations further confirmed the stability of the quercetin-GAPDH, catechin-HDAC1 and kaempferol-EP300 complexes. ConclusionThe key components of Ganmai Dazao Decoction, namely quercetin, catechin, and kaempferol, exert therapeutic effects on insomnia by targeting 10 core proteins and modulating multiple pathways, including the IL17 signaling pathway, lipids and atherosclerotic-related pathways. [Funded by Chengdu Medical College Level Scientific Research Project (number, CYZYB23-01)]
2.Study on the prevalence rate and optimal waist circumference cut-off points of obesity for the components of metabolic syndrome in Uygur from Xinjiang
Jia HE ; Heng GUO ; Rulin MA ; Jiaming LIU ; Yusong DING ; Jingyu ZHANG ; Mei ZHANG ; Yizhong YAN ; Yu LI ; Jiaolong MA ; Yunhua HU ; Bin WEI ; Hongrui PANG ; Shugang LI ; Shuxia GUO
Chinese Journal of Endocrinology and Metabolism 2018;34(3):211-216
Objective To investigate the prevalence of metabolic syndrome and appropriate cut-off point of waist circumference of abdominal obesity for components of metabolic syndrome in Uygur population in Xinjiang. Methods A questionnaire-based survey, physical examination, and blood testing were conducted according to cluster random sampling in Uygur residents above 18 years old in Xinjiang.There were 3 542 samples collected,based on the International Diabetes Federation(IDF)standard of metabolic syndrome, the relativities of clustering of metabolic syndrome components and different strata of waist circumference for Uygur were analyzed,and looking for the appropriate cut-off points for identifying two or more components of metabolic syndrome within the shortest distance of receiver operating characteristic(ROC)curve.Results According to IDF standard,the waist circumference(85 cm for men,82 cm for women)corresponded to the shortest distance in ROC curve,at these cut-offs of abdominal obesity for component of metabolic syndrome,the prevalences of metabolic syndrome were 21.3%,19.5%in men, while 23.0%in women,the prevalence of women was higher than that of men(P<0.05).The prevalences of≥1,≥2 components of metabolic syndrome were shown an increasing trend with the increasing size of waist circumference, and the odds ratio of clustering of metabolic syndrome components were also increased significantly.Conclusion The prevalence of metabolic syndrome among Xinjiang Uygur population was higher than that of national level.The cut-off points of waist circumference(85 cm for men,82 cm for women)combining other components definition of IDF standard were recommended for identifying metabolic syndrome of Uygurs.

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