Objective To identify the therapeutic targets and molecular mechanisms of Da Chaihu Decoction in the treatment of acute pancreatitis (AP) based on network pharmacology and molecular docking. Methods From March to May 2024, the active compounds and targets of Da Chaihu Decoction were retrieved from the Traditional Chinese Medicine Systems Pharmacology (TCMSP) database, and the targets related to AP were obtained from the GeneCards database. The intersection of these yielded the common targets of Da Chaihu Decoction for AP treatment. The STRING platform was used to construct a protein-protein interaction network, and Cytoscape 3.9.1 software was employed for network topology analysis to identify core targets and compounds. The Metascape platform was applied for gene ontology functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis, with bubble charts generated using Python 3.8 software. Molecular docking was conducted using AutoDock 1.5.6 software to predict binding affinities between core compounds and targets. Results A total of 84 common targets of Da Chaihu Decoction for AP treatment were identified. The core compounds included quercetin, β-sitosterol, kaempferol, luteolin, and baicalein. The key proteins included AKT1, B-cell leukemia/lymphoma 2 (BCL2), Jun proto-oncogene (JUN), interleukin 1 Beta (IL1B), and nuclear factor kappa B subunit 1 (NFKB1), all of which were enriched in pathways such as lipid and atherosclerosis, PI3K-Akt signaling pathway, mitogen-activated protein kinase (MAPK) signaling pathway, tumor necrosis factor (TNF) signaling pathway, and apoptosis. The binding energies of some core compounds with key proteins were below –5.0 kJ/mol. Conclusion Da Chaihu Decoction may exert anti-inflammatory and anti-apoptotic effects in AP by modulating key protein targets, including AKT1, BCL2, JUN, IL1B, and NFKB1, within pathways such as lipid and atherosclerosis, PI3K-Akt signaling, MAPK signaling, TNF signaling, and apoptosis.
目的 探讨成年人颅骨表面遮盖重建(SSD)的理想阈值设定,为利用SSD进行的头部CT血管成像(CTA)去骨成像提供阈值设定的依据。 方法 选取2012年8月,在成都市第一人民医院体检的、同一单位工作的86位体检对象,进行颅骨平均CT值、腰椎骨质密度、性别及年龄的两两对照及多重线性回归拟合,建立起预估颅骨平均CT值的多重线性回归方程,计算出18~80岁人群的理论平均颅骨CT值作为SSD的理想阈值。同时收集2012年10月-2013年2月在该院进行头部CTA检查的12例患者的相关资料以验证其可行性。 结果 18~80岁人群的理论平均颅骨CT值约为640 Hu。以该值作为SSD的阈值进行去骨成像,所有患者图像质量评分均为5分,可视为去骨成功。 结论 在利用理论颅骨平均CT值作为重建阈值的基础之上,通过简单的SSD图像质量再判断及修正,即可简便地完成后处理工作,具有可行性。