The scientific community maintains considerable interest in polyvinyl alcohol (PVA) based on metal oxide nanocomposites due to its ability to combine both polymers and dopants with their properties. [1-15] These polymers have many applications in medical and engineering technology because of their mechanical, electrical, and optical properties. [16,17] ZnO-based polymeric nanocomposite materials have attracted scientific attention because of their transparency, high electron mobility, wide bandgap (3.2 eV, at 300 K [18,19]), and electrical properties. The insertion of ZnO nanoparticles into PVA matrices, in general, may significantly change their electric, mechanical, and optical characteristics. [1,7,8,15] PVA is readily water-soluble, and as such has many uses in the fields of polymer processing, pharmacy, and biomedicine. [20-23] Shanshool et al. [7] have studied the optical properties of various composites that use ZnO nanoparticles as a filler material in different polymer matrices, such as poly(methyl methacrylate) (PMMA), poly(vinylidene fluoride) (PVDF), PVA, and polystyrene (PS). ZnO nanoparticles have been found to have an effect on the bandgap of each polymer matrix, depending on the polymer's nature. The structural, optical, and dielectric properties of ZnOreinforced poly(ethylene oxide) (PEO) blended with poly(vinyl pyrrolidone) (PVP) have been previously studied by Choudhary. [13] It was noted that the enhanced optical properties of obtained nanocomposite films confirm the suitability of these materials for use in optical sensors. Moreover, Selvi et al. [1] synthesized ZnO nanoparticles with the co-precipitation method and reinforced a PVA matrix to investigate the optical and electrical properties of the resultant polymer composite films. However, the linear optical parameters, such as the refractive

No abstract

No abstract

No abstract

Novel series of aminopyrimidines bearing a biologically active cyclohexenone 3a–f and oxo-selaneylidene moiety 4 , besides selenadiazolopyrimidines ( 5a–e and 7 ), were synthesised using 5,6-diaminouracils as starting materials. Compound 3a exhibited strong anti-proliferative activity against three cell lines: HepG-2 (IC 50 14.31 ± 0.83 µM), A-549 (IC 50 30.74 ± 0.76 µM), and MCF-7 (IC 50 27.14 ± 1.91 µM). Also, it was four times more selectively cytotoxic against WI-38 cell lines than doxorubicin. Furthermore, Topoisomerase II (IC 50 4.48 ± 0.65 µM) and HSP90 (IC 50 1.78 ± 0.11 µM) were both strongly inhibited in vitro by 3a . The cell cycle was halted at the G1-S phase, and total apoptotic cells were 65 times more than control Hep-G2 cells. Besides, it increased caspase-3 gene expression, triggering mitochondrial cell death. Molecular docking study indicated that it could bind to Topoisomerase II and HSP90 binding sites in an inhibitory mode. Its geometric properties were investigated using the density functional theory (DFT). Furthermore, compound 3a demonstrated in silico good oral bioavailability.