TAK1 (transforming growth factor-beta-activated kinase 1) is a crucial therapeutic target in inflammation-related diseases. This study investigated the inhibitory potential of cannflavin A, a flavonoid found in Cannabis sativa, against TAK1. Through in silico approaches, including drug-likeness analysis, ADMET assessment, molecular docking, and molecular dynamics simulation, the binding affinity and stability of cannflavin A were evaluated. The results demonstrate that cannflavin A exhibits excellent ADMET properties and displays superior binding affinity and stability at the ATP binding site of TAK1 when compared to the known inhibitor takinib. Notably, the decomposition of binding free energy unveils critical amino acid residues involved in TAK1 binding, underscoring the inhibitory effect of cannflavin A through TAK1 inhibition. These findings highlight the potential of cannflavin A as a TAK1 inhibitor and its significant implications for the development of targeted therapies in inflammation-related diseases. Through modulating inflammatory signaling pathways, cannflavin A holds promise for more effective and tailored treatment strategies, particularly in rheumatoid arthritis. This study contributes to the current understanding of cannflavin A’s application and provides a foundation for further research and innovative approaches in targeted therapies for inflammatory conditions.
This study aimed to prepare and characterize nanoemulsions containing eugenol and 1,8-cineole using the emulsification method and to investigate their anesthetic effects on guppy fish. The optimized formulation comprised a 5–10% mixture of eugenol and 1,8-cineole in a 1:2 ratio, stabilized with 15–20% Tween 80. The selected formulations displayed mean particle sizes below 15 nm, a low polydispersity index (PDI) (<0.5), and a zeta potential that was more negative than −40 millivolts (mV), indicating stable emulsions. Their pH ranged from 6.50 to 6.63, indicating slight acidity. The formulations exhibited non-Newtonian rheology, as well as thinning under shear stress. Three formulations (F2, F6, and F12) remained stable after both accelerated and long-term stability testing. All nanoemulsions were able to induce guppy fish to the third stage of anesthesia. The nanoemulsions with concentrations of 50 mg/L and 100 mg/L eugenol effectively induced sedation and anesthesia in both sexes and reduced the induction and recovery times compared with the ethanol solution. In conclusion, this study highlights nanoemulsions as a promising drug delivery system for alternative anesthetics in aquaculture.