Integrated Serum Pharmacochemistry, Metabolomics, and Network Pharmacology Uncover Potential Active Components and Mechanisms of Shenling Baizhu Powder in Treating Ulcerative Colitis With Spleen Deficiency and Dampness Stagnation.

Abstract

This study combined serum pharmacochemistry, metabolomics, and network pharmacology to uncover potential active components and mechanisms of Shenling Baizhu Powder (SLBZP) in treating ulcerative colitis with spleen deficiency and dampness stagnation (UC-SDDS), providing scientific evidence for its efficacy. Pharmacodynamic investigations demonstrated that SLBZP exhibits substantial anti-inflammatory properties and confers protection to the intestinal barrier in UC-SDDS rat models. Further, 16 active components and six core targets (BCL2, NFKB1, TNF, IL6, AKT1, CASP3) were obtained using serum pharmacochemistry and network pharmacology. Twenty-six differential metabolites in serum and 25 differential metabolites in urine were identified using untargeted metabolomics analyses. Subsequently, nine active components (butein, calycosin-7-o-β-d-glucoside, glabridin, isochlorogenic acid B, naringenin chalcone, naringenin, neoliquiritin, oroxyloside, and vanillic acid) were identified from SLBZP for treating UC-SDDS by integrating network pharmacology and chinmedomics. Molecular docking and dynamics simulation revealed that these compounds exhibit superior binding affinities to six core targets. Finally, the expression levels of AKT1, p-AKT1, mTOR, Caspase 3, TLR2, TLR4, ERK1/2, STAT1, MyD88, NFκB, and BCL2 in colon tissues were detected in UC-SDDS rats treated with SLBZP. The study showed that SLBZP effectively treats UC-SDDS rats by modulating multiple components, targets, and pathways using serum pharmacochemistry, network pharmacology, and metabolomics.