Qing-Yi Decoction in the Treatment of Acute Pancreatitis: An Integrated Approach Based on Chemical Profile, Network Pharmacology, Molecular Docking and Experimental Evaluation

Abstract

Background: Qing-Yi Decoction (QYD) is a classic precompounded prescription with satisfactory clinical efficacy on acute pancreatitis (AP). However, the chemical profile and overall molecular mechanism of QYD in treating AP have not been clarified.Methods: In the present study, a rapid, simple, sensitive and reliable ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UHPLC-QTOF-MS)-based chemical profile was first established. An integration strategy of network pharmacology analysis and molecular docking based identified ingredients was further performed to screen out the potential targets and pathways involved in the treatment of QYD on AP. Finally, SD rats with acute pancreatitis were constructed to verify the predicted results through a western blot experiment.Results: A total of 110 compounds, including flavonoids, phenolic acids, alkaloids, monoterpenes, iridoids, triterpenes, phenylethanoid glycosides, anthraquinones and other miscellaneous compounds were identified, respectively. Eleven important components, 47 key targets and 15 related pathways based on network pharmacology analysis were obtained. Molecular docking simulation indicated that ERK1/2, c-Fos and p65 might play an essential role in QYD against AP. Finally, the western blot experiments showed that QYD could up-regulate the expression level of ERK1/2 and c-Fos, while down-regulate the expression level of p65.Conclusion: This study predicted and validated that QYD may treat AP by inhibiting inflammation and promoting apoptosis, which provides directions for further experimental studies.

Ferroptosis in Rat Lung Tissue during Severe Acute Pancreatitis-Associated Acute Lung Injury: Protection of Qingyi Decoction

“…Several basic investigations have shown the molecular mechanisms of QYD in the treatment of SAP and associated distant organ damage. Wei et al's network pharmacology study demonstrated that QYD might attenuate pancreatic injury during SAP by inhibiting NF- κ B-mediated inflammatory response [ 10 ]. By suppressing intestinal sPLA2 expression, QYD dramatically reduced AP-induced intestinal barrier damage [ 27 ].…”

“…is added and simmered for an additional 0.5 h. Filter when hot, add Na 2 SO 4 ·10 H 2 O, blend the two filtrates, concentrate to 1 g/ml, sterile package, and store at 4°C for future use. The chemical profiles of QYD mapped using ultraperformance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry are presented in the previous study [ 10 ].…”

Yuan-Zhi decoction in the treatment of Alzheimer’s disease: An integrated approach based on chemical profiling, network pharmacology, molecular docking and experimental evaluation

“…Finally, further work is needed to study global metabolic changes in other species to fully elucidate the mechanisms by which YZD improves AD. Enhanced metabolomics technologies, such as targeted metabolomics, are required to detect metabolite biomarkers ( Wei et al, 2020 ).…”

Natural Chinese herbs for the prevention and treatment of acute pancreatitis: a narrative review

“…[58] The study found that the treatment of AP with QYD may be related to its anti-inflammatory effect. [58,59] It has a significant effect on the treatment of AP, [60] acute biliary pancreatitis (ABP), [61] and SAP. [62] Red peony root decoction Red peony root decoction is more effective than rhubarb alone for SAP patients, when the patient took it, the patients' total days of using antibiotics, enzyme inhibitors, and hospitalization costs were decreased.…”