Serum Pharmacochemistry Combined With Network Pharmacology to Explore Potential Bioactive Components and Mechanisms of Pomegranate Peel in the Treatment of Colorectal Cancer

Vollständiger Abstract

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ABSTRACT Pomegranate peel (PP) is a traditional Chinese medicinal material. PP has multiple biological activities such as anti‐inflammatory and anticancer activities. Although biological activity investigations of PP are growing, few studies have focused on its chemical constituents, and there is a lack of research on its in vivo metabolic characteristics. In this study, UHPLC‐Orbitrap Exploris‐MS was used to analyze constituents of PP and, for the first time, its metabolic profiles. Network pharmacology and molecular docking were used to elucidate anti‐colorectal cancer mechanisms of PP. As a result, we identified 131 compounds in PP. Among them, multiple isomeric forms of different types of ellagitannins and gallotannins were simultaneously identified for the first time. Furthermore, we identified 14 absorbed components and their eight metabolites in rat serum after oral administration of PP. In network pharmacology and molecular docking analysis, using 14 absorbed compounds, we obtained six core targets and five main absorbed compounds that were considered possible anti‐colorectal cancer targets and bioactive compounds of PP. Our findings provide systematic knowledge on the material basis, metabolic profiles, and anti‐colorectal cancer mechanisms of PP. This study also provides further understanding of ellagitannins and gallotannins in medicinal plants/foods, as well as their in vivo metabolic characteristics.