RESUMEN
Five compounds (1-5), one long-chain fatty acid (1), two thiophenes (2 and 3), one alkaloid (4), and one phenyl ester (5), were isolated from the aerial part of Echinops davuricus. The structures of the products were established by performing detailed nuclear magnetic resonance (NMR) analysis, and the structure of compoundâ 1 was determined via high-resolution electrospray ionization mass spectrometry (HRESIMS) and NMR. Compoundsâ 1, 4, and 5 were isolated from Echinops davuricus for the first time. Based on network pharmacology methods, AKR1B10 was selected as a key anticancer target. Compoundsâ 1 and 5 exhibited significant AKR1B10 inhibitory activities, with IC50 values of 156.0±1.00 and 146.2±1.50â nM, respectively, with epalrestat used as the positive control (81.09±0.61â nM). Additionally, the interactions between the active compounds and AKR1B10 were evaluated via molecular docking. Ultimately, the GO and KEGG enrichment analysis indicated that the key signaling pathways associated with the active compounds may be related to the PI3K-Akt, MAPK, apoptotic, cellular senescence, and TNF signaling pathways and the human diseases corresponding to the targets are cancer. Our study reveals for the first time the anticancer properties of Echinops davuricus and provides a comprehensive understanding of its application in traditional medicine.
Asunto(s)
Medicamentos Herbarios Chinos , Fosfatidilinositol 3-Quinasas , Humanos , Simulación del Acoplamiento Molecular , Tenrecidae , Ésteres , Ácidos Grasos , Aldo-Ceto ReductasasRESUMEN
Ten compounds (1-10) including one new neoclerodane diterpenoid (1) and nine known compounds were isolated from the whole plants of Ajuga nipponensis. Their structures were established by performing detailed analysis of NMR, the structure of 1 was determined using HRESIMS, 1D and 2D NMR, UV, and IR. Compounds 1 and 4-10 were isolated from Ajuga nipponensis for the first time. And it was the first time to report compounds 9 and 10 as natural products. Based on network pharmacology methods, 45 key targets were selected, which were compounds mapping to diseases. And compounds 2, 3, 7, and a (ajugacumbin B) exhibited excellent AKR1B10 inhibitory activities, with IC50 values of 53.05 ± 0.75, 87.22 ± 0.85, 61.85 ± 0.66, and 85.19±1.02 nM respectively, with Epalrestat used as the positive control (82.09 ± 1.62 nM). Additionally, the interaction between active compounds and AKR1B10 had been discussed according to the molecular docking results. Ultimately, the analysis of GO and KEGG enrichment indicated that the key signaling pathway of the active compounds may be related to prostate cancer. Our study results demonstrate the hypoglycemic and anti-tumor properties of A. nipponensis for the first time, and provide a comprehensive understanding of its application in traditional medicine. Furthermore, this article establishes a reference for further research on the optimized experimental design of novel AKR1B10 inhibitors.
Asunto(s)
Ajuga , Ajuga/química , Simulación del Acoplamiento Molecular , Estructura Molecular , Extractos Vegetales/química , Medicina TradicionalRESUMEN
This study aimed to prepare a novel emulsion film with high stability, using soy protein-derived amyloid fibrils (SAFs) as an emulsifier incorporating clove essential oil (CEO) as the active component, and the polyvinyl alcohol (PVA) matrix to stabilize the system. The results demonstrated that SAFs can successfully stabilize CEO. Emulsion prepared by SAFS and CEO (SAC) exhibited a small droplet size and better dispersibility compared with SPI and CEO (SC) emulsion. According to FT-IR results, PVA addition increased the hydrogen bond interactions among emulsion film components, thus further reinforcing the protein matrix, increasing the tensile strength (TS) (41.18 MPa) and elongation at break (E) (121.62 %) of the films. The uniform appearance of SAC-PVA (SACP) emulsion films was confirmed by SEM images. Furthermore, SACP emulsion films show distinctive barrier properties, optical properties, and outstanding antioxidant properties. Finally, emulsion films exhibited excellent preservation of strawberries, resulting in an effective decline of the decay rate.