Novel biologically active polyurea derivatives and its TiO2-doped nanocomposites.

A new series of polyurea derivatives and its nanocomposites were synthesised by the solution polycondensation method through the interaction between 4(2-aminothiazol-4-ylbenzylidene)-4-(tert-butyl) cyclohexanone and diisocyanate compound in pyridine. The PU_1-3 structure was confirmed using Fourier transform-infrared (FTIR) spectroscopy and characterised by solubility, viscometry, gel permeation chromatography (GPC), and X-ray diffraction (XRD) analysis. In addition, PU_1-3 was evaluated by TGA. Polyurea-TiO₂nanocomposites were synthesised using the same technique as that of PU_1-3 by adding TiO₂ as a nanofiller. The thermal properties of PU₂TiO₂a-d were evaluated by TGA. Moreover, the morphological properties of a selected sample were examined by SEM and TEM. In addition, PU_1-3 and PU₂TiO₂a-d were examined for antimicrobial activity against certain bacteria and fungi. The PU_1-3 showed antibacterial activity against some of the tested bacteria and fungi, as did PU₂TiO₂a-d, which increased with the increase in TiO₂ content. Furthermore, molecular docking studies were displayed against all PU_1-3 derivatives against two types of proteins. The results show that the increase in the strength of π-H interactions and H-donors contributed to improved binding of PU2 compared to PU1 andPU_3. The docking of 1KZN against the tested polymers suggests an increase in the docking score of PU_2, then PU₁, and PU₃, which is in agreement with the antibacterial study.