Novel biologically active polyurea derivatives and its TiO(2)-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–TiO(2)nanocomposites were synthesised using the same technique as that of PU(1–3) by adding TiO(2) as a nanofiller. The thermal properties of PU(2)TiO(2)a–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 PU(2)TiO(2)a–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 PU(2)TiO(2)a–d, which increased with the increase in TiO(2) 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 PU(1), and PU(3), which is in agreement with the antibacterial study.