Akram Tayanloo, Samad Zare1, Latifeh Karimzadeh-Bardei, Serwa Hoseini,
Volume 4, Issue 2 (9-2017)
Abstract
The polycystic ovary syndrome (PCOS) is one of the most common endocrine disorders in women at childbearing age. Metabolic syndrome is present from 28% to 46% of patients with PCOS. Non-alcoholic
fatty liver di-sease (NAFLD) is considered the hepatic expression of metabolic syndrome. In this study
Urtica dioica moderator ef-fect on liver function in PCOS rats was examined. 120 adult female Wistar rats were divided into control, PCOS and nettle-treated groups. The PCOS group was injected subcutaneously 2 mg/kg estradiol valerate. After confirmed poly-cystic in ovaries, the experimental group was injected of the nettle extract doses (150,250, 450 mg/kg BW). Then rats were killed and blood samples were evaluated. Data were analyzed using ANOVA one-way and p<0.05 was considered statistically significant. ELISA test showed a decrease in IL-6 level and CRP levels reduced in PCOS rats were treated with various concentrations of nettle. Our results show that nettle due to its antioxidant properties reduce the levels of IL-6 and CRP in nettle extract treated-PCOS compared to the PCOS.
Zeinab Mollaie, Leila Karami, Elham Rezaee, Gilda Karimi,
Volume 10, Issue 3 (12-2023)
Abstract
It has been found that the second isoform of COX enzyme known as COX-2 plays an important role in inflammation and rheumatoid arthritis and osteoarthritis. Thus, designing COX-2 inhibitors to treat inflammation is among the most important goals of researchers. In this study, the inhibitory effect of 3 new imidazole derivatives on COX-2 was evaluated by in silico approach. Molecular docking was done using Autodock Vina and the best binding mode of inhibitors was used as input of molecular dynamics (MD) simulation. MD was performed using Gromacs software for 120 ns. Then, structural and thermodynamic analyzes (ΔGbinding) and prediction of physicochemical properties were performed. RMSD data showed the compounds reached a good equilibrium and had favorable stability during simulation. Also, the RMSF showed that due to binding of inhibitors, the fluctuations of complexes decreased and the active site residues had the lowest amount. Rg, SASA and DSSP analysis showed that the protein structure did not change significantly. It was also found that Ser530 and Tyr355 residues play a more effective role in hydrogen bond formation. Physicochemical parameters determined the good drug-likeness properties for all compounds. Structural and thermodynamic analyzes (MM-PBSA) and IC50 data indicate the favorable inhibitory effect of compound 5b.
