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Material basis and molecular mechanisms of Chaihuang Qingyi Huoxue Granule in the treatment of acute pancreatitis based on network pharmacology and molecular docking-based strategy.
Yang, Jia; Jiang, Yu-Hong; Zhou, Xin; Yao, Jia-Qi; Wang, Yang-Yang; Liu, Jian-Qin; Zhang, Peng-Cheng; Tang, Wen-Fu; Li, Zhi.
Afiliação
  • Yang J; School of Integrated Traditional Chinese and Western Medicine, Southwest Medical University, Luzhou, Sichuan, China.
  • Jiang YH; Department of Integrated Traditional Chinese and Western Medicine, National Clinical Research Center for Geriatrics, West China Hospital, Sichuan University, Chengdu, China.
  • Zhou X; Department of Spleen and Stomach Diseases, Chinese Medicine Hospital Affiliated to Southwest Medical University, Luzhou, Sichuan, China.
  • Yao JQ; The Key Laboratory of Integrated Traditional Chinese and Western Medicine for Prevention and Treatment of Digestive System Diseases of Luzhou city, Affiliated Traditional Medicine Hospital of Southwest Medical University, Luzhou, China.
  • Wang YY; Department of Integrated Traditional Chinese and Western Medicine, National Clinical Research Center for Geriatrics, West China Hospital, Sichuan University, Chengdu, China.
  • Liu JQ; School of Integrated Traditional Chinese and Western Medicine, Southwest Medical University, Luzhou, Sichuan, China.
  • Zhang PC; Department of Spleen and Stomach Diseases, Chinese Medicine Hospital Affiliated to Southwest Medical University, Luzhou, Sichuan, China.
  • Tang WF; The Key Laboratory of Integrated Traditional Chinese and Western Medicine for Prevention and Treatment of Digestive System Diseases of Luzhou city, Affiliated Traditional Medicine Hospital of Southwest Medical University, Luzhou, China.
  • Li Z; Department of Integrated Traditional Chinese and Western Medicine, National Clinical Research Center for Geriatrics, West China Hospital, Sichuan University, Chengdu, China.
Front Immunol ; 15: 1353695, 2024.
Article em En | MEDLINE | ID: mdl-38765004
ABSTRACT

Objectives:

This study aimed to analyze active compounds and signaling pathways of CH applying network pharmacology methods, and to additionally verify the molecular mechanism of CH in treating AP. Materials and

methods:

Network pharmacology and molecular docking were firstly used to identify the active components of CH and its potential targets in the treatment of AP. The pancreaticobiliary duct was retrogradely injected with sodium taurocholate (3.5%) to create an acute pancreatitis (AP) model in rats. Histological examination, enzyme-linked immunosorbent assay, Western blot and TUNEL staining were used to determine the pathway and mechanism of action of CH in AP.

Results:

Network pharmacological analysis identified 168 active compounds and 276 target proteins. In addition, there were 2060 targets associated with AP, and CH had 177 targets in common with AP. These shared targets, including STAT3, IL6, MYC, CDKN1A, AKT1, MAPK1, MAPK3, MAPK14, HSP90AA1, HIF1A, ESR1, TP53, FOS, and RELA, were recognized as core targets. Furthermore, we filtered out 5252 entries from the Gene Ontology(GO) and 186 signaling pathways from the Kyoto Encyclopedia of Genes and Genomes(KEGG). Enrichment and network analyses of protein-protein interactions predicted that CH significantly affected the PI3K/AKT signaling pathway, which played a critical role in programmed cell death. The core components and key targets showed strong binding activity based on molecular docking results. Subsequently, experimental validation demonstrated that CH inhibited the phosphorylation of PI3K and AKT in pancreatic tissues, promoted the apoptosis of pancreatic acinar cells, and further alleviated inflammation and histopathological damage to the pancreas in AP rats.

Conclusion:

Apoptosis of pancreatic acinar cells can be enhanced and the inflammatory response can be reduced through the modulation of the PI3K/AKT signaling pathway, resulting in the amelioration of pancreatic disease.
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Pancreatite / Medicamentos de Ervas Chinesas / Transdução de Sinais / Simulação de Acoplamento Molecular / Farmacologia em Rede Idioma: En Ano de publicação: 2024 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Pancreatite / Medicamentos de Ervas Chinesas / Transdução de Sinais / Simulação de Acoplamento Molecular / Farmacologia em Rede Idioma: En Ano de publicação: 2024 Tipo de documento: Article