Integrated strategy of network analysis prediction and experimental validation to elucidate the possible mechanism of compound Turkish gall ointment in treating eczema.

BACKGROUND: Compound Turkish gall ointment (CTGO) has a long history of being widely used as a folk medicine in Xinjiang for the treatment of eczema. CTGO is currently in the pre-investigational new drug application stage, but its pharmacological mechanisms of action have not yet been clarified. METHODS: First, a sensitive and reliable ultra-high performance liquid chromatography-Q exactive hybrid quadrupole-orbitrap high-resolution accurate mass spectrometry (UHPLC-Q-Orbitrap HRMS) technique was established. Second, an integrative strategy of network analysis and molecular docking based on identified and retrieved ingredients was implemented to investigate the potential targets and pathways involved in the treatment of eczema with CTGO. Finally, Sprague-Dawley (SD) rats with eczema were prepared to verify the predicted results. The skin conditions of the rats were observed, evaluated, and scored. Skin tissues were observed by hematoxylin-eosin (HE) staining, and the levels of serum interferon-γ (IFN-γ) and interleukin-4 (IL-4) were determined by enzyme-linked immunosorbent assay (ELISA). The expression levels of toll-like receptor 4 (TLR4), nuclear factor kappa-B p65 (NF-κB p65), interleukin-1ß (IL-1ß), and tumor necrosis factor-α (TNF-α) were detected by real-time quantitative polymerase chain reaction (RT-qPCR). RESULTS: A total of 29 compounds were identified. We found 38 active components and 58 targets for the treatment of eczema, which included 118 signaling pathways related to inflammation, immunity, and apoptosis. CTGO significantly improved the skin surface and histopathological characteristics of eczema-affected rats, downregulated the expression of IL-4, TLR4, NF-κB (p65), IL-1ß, and TNF-α, and upregulated the expression level of IFN-γ. CONCLUSION: We predicted and validated our prediction that CTGO may be used to treat eczema by affecting the TLR4/NF-κB signaling pathway, which provides guidance for future experimental studies.

Evaluation of total phenol and flavonoid content and antimicrobial and antibiofilm activities of Trollius chinensis Bunge extracts on Streptococcus mutans.

Dental caries is a chronic disease with multiple bacterial infections, Streptococcus mutans is the main cariogenic bacteria. Trollius chinensis Bunge is a common folk medicine in the Xinjiang area of China. In this study, we investigated the total flavonoid content and total phenol content in four types of T. chinensis Bunge extracts and the inhibitory effects of these extracts on S. mutans. Agar diffusion method was used to measure the inhibition zone diameters, and the minimum inhibitory concentration and minimum bactericidal concentration were determined by the twofold dilution method. Water extracts from T. chinensis Bunge and ethanol (30, 60, and 90%) extracts at different concentrations could significantly inhibit the growth of S. mutans. Among them, 30% ethanol extract exhibited the best antibacterial and antibiofilms effect. Biofilm research (crystal violet staining and CLSM) showed that 30% ethanol extract of T. chinensis Bunge plays an important role in inhibiting S. mutans growth and the number of biofilms. The results indicate that T. chinensis Bunge extract has good antibacterial and anti-biofilm activity on S. mutans. It has the potential to be developed for the treatment of caries in clinical application.