| Abstrakt: |
Mycobacterium tuberculosis causes tuberculosis, an infectious disease. Pyrazinamide is a tuberculosis treatment. Metal–ligand–drug complexation can be used to improve the therapeutic efficacy of drugs. Copper pyrazinamide (CuPZA), a newly synthesized drug, is being considered for tuberculosis treatment. CuPZA was synthesized by soft synthetically reacting Cu (II) metal with pyrazinamide. The metal-drug complexes were characterized using elemental analysis, melting point determination, TGA analysis, FT-IR spectrometer, hot-stage microscopic study and X-ray crystallography. Copper (II) coordination with pyrazinamide was clearly demonstrated by the results of the characterization. For molecular modeling of the CuPZA novel compound, the density functional theory (DFT) method with B3LYP functional and 6-31G(d, p) basis set was used. Chemical reactivity parameters such as the energy gap, global hardness and softness and the electrophilicity index demonstrate that the complex is chemically reactive in aqueous medium. Pharmacokinetic parameters studied revealed that the complex is a promising drug material, with good oral bioavailability and higher activity than first-line tuberculosis medications. The enzymes alanine aminotransferase (AST) and aspartate aminotransferase (ALT) were used to assess liver damage, whereas malondialdehyde (MDA), reduced glutathione (GSH), glutathione-S-transferase (GST) and superoxide dismutase (SOD) were used to assess liver antioxidant status. ALT, AST and GSH levels were not significantly different across all test parameters, but GST activity and MDA levels were significantly higher (p 0.05) in the 20 mg CuPZA group compared to the control. CuPZA's LD50 was lower (47.962 g/ml) than PZA's (83.624 g/ml). According to the findings, pyrazinamide does not cause oxidative stress and is thus safer than CuPZA. CuPZA did not reduce antioxidant levels in rats, but it did cause oxidative stress. Furthermore, oxidative stress has no effect on liver enzyme levels, which are indicators of liver damage, indicating that the animals are in the early stages of oxidative stress. Copper pyrazinamide is a promising tuberculosis inhibitor with potential activity greater than first-line tuberculosis treatments. Copper pyrazinamide, on the other hand, should be used for tuberculosis treatment for a shorter period of time than pyrazinamide. [Ni(II)(Tpy)2] MOF was synthesized, characterized and used to mop up Congo red dye. The density functional theory was used to determine chemical reactivity parameters of [Ni(II)(Tpy)2] MOF. Monte Carlo and molecular dynamics simulations were used to shed light on the adsorption process. [ABSTRACT FROM AUTHOR] |
