Integrated UHPLC-Q-Orbitrap-MS/MS Method and Network Pharmacology for Exploring the Active Components and Potential Mechanisms of Neuroprotective Effect of the n-Butanol Part of Mume Flos

Abstract

Background: Mume Flos is a common Qi-regulating medication used in traditional Chinese medicine, modern study has discovered that Mume Flos and its components have neuroprotective properties. However, the effective components and molecular mechanisms of Mume Flos are still unclear. Methods: In this study, the current study chose Caenorhabditis elegans as a model to evaluate the anti-Alzheimer disease (AD) effect of the active parts of Mume Flos using life span, paralysis rate, oxidative stress capacity, and heat stress capacity as indicators. Then, UHPLC-Q-Orbitrap-MS/MS and network pharmacology combined with GEO database chip were used for joint analysis to predict the active components and potential molecular mechanisms, which were validated using C. elegans models. Results: The results showed that the n-butanol part of Mume Flos slowed down nematode paralysis and possessed anti-AD activity, and we tentatively identified a total of 45 constituents, mainly including flavonoids and phenylpropanoids as well as a small number of amino acids, and determined that 39 active components and 130 targets are related to neuroprotection. Further analysis identified the main active ingredients such as rutin, neochlorogenic acid, and chlorogenic acid, all of which could reduce Aβ deposition in nematodes and slow down the rate of paralysis in transgenic nematodes. Conclusion: This study revealed the neuroprotective effects of MFB and identified its active components as rutin, neochlorogenic acid, and chlorogenic acid. They may play a role in reducing Aβ deposition by regulating the targets of GAPDH, TNF, IL6, INS, and TP53. This study provides a basis for further in-depth research on the mechanism of MFB to improve neurological diseases.