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Integrating serum pharmacochemistry,network pharmacology and metabolomics analysis to explore the possible mechanism of qingjiehuagong decoction in the treatment of acute pancreatitis

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Traditional Medicine Research 2023年第9期8卷 49-71页

作者： Bai-Jun Qin Min-Chao Feng Chi Zhang Xian-Zhong Bu Wen-Hao Gong Yue-Qiao Chen Yan Tang Hui Li Kun-Rong Liu Guo-Zhong Chen Xi-Ping Tang Department of Gastroenterology Chongqing Traditional Chinese Medicine HospitalChongqing 400011China Guangxi Key Laboratory of Molecular Biology of Traditional Chinese Medicine and Preventive Medicine Nanning 530000China Department of Orthopedics Ruikang Hospital Affiliated to Guangxi University of Chinese MedicineNanning 530000China Department of Gastroenterology The First Affiliated Hospital of Guangxi University of Chinese MedicineNanning 530000China Department of Endoscopy Center Cancer Hospital Affiliated to Guangxi Medical UniversityNanning 530000China

Background:The qingjiehuagong decoction(QJHGD),which has been used in clinical trials to treat acute pancreatitis(AP),has demonstrated encouraging ***:In this particular investigation,we used both metabolomics and network pharmacology to investigate the fundamental processes and targets that QJHGFD employs to cure ***:Using a cerulein-induced rat model of AP,we showed that QJHGD effectively improved pancreatic tissue damage and reduced serum levels of AMY,LPS,IL-1β,IL-6,IL-8 and TNF-α.In total,28 blood entry compounds derived from QJHGD were identified by ultra-performance liquid chromatography-high resolution mass spectrometry *** intersecting target genes of 108 genes associated with identified compounds in QJHGD and AP disease genes were identified using a network pharmacology *** protein interaction network revealed AKT1,TNF-α,IL-6,VEGFA,and TP53 as important *** ontology analysis showed that response to stimulus,molecular function regulator and organelle part were the main functions,and Kyoto Encyclopedia of Genes and Genomes analysis showed that 20 pathways such as AGE-RAGE signaling pathway in diabetic complications and the IL-17 signaling pathway were the main pathways involved in the anti-AP effects of ***-two potential metabolic markers and 13 possible metabolic pathways were identified by metabolomics *** network pharmacological analysis revealed that QJHGD affects four metabolic pathways(tryptophan metabolism;glycolysis and gluconeogenesis metabolism;valine,leucine and isoleucine degradation metabolism;the urea cycle and metabolism of arginine,proline,glutamate,aspartate and asparagine),five metabolites(indole-3-acetate,pyruvate,methylmalonate,L-citrulline,N-acetyl-l-glutamate)and four related targets(AKT1,ALDH2,NOS2,NOS3)to combat *** strong affinity of QJHGD’s interactions with its primary targets was established by molecular docking and molecular dynamics simulations.C

关键词： acute pancreatitis qingjiehuagong decoction metabolomics network pharmacology

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