J Biomol Struct Dyn
September 2019
This report describes the results of a study on the antiproliferative activity of the morpholine-based ligand 1,3-bis(1-morpholinothiocarbonyl)benzene () and its nickel(II) complex () against human breast cancer cells (MCF-7), colon carcinoma cells (C26), and normal fibroblast NIH-3T3 cells. showed better cytotoxicity on both cancerous cells relative to normal cells with the highest selective index of 2.22 in MCF-7 cells.
View Article and Find Full Text PDFIt is of great significance to develop green fuels in order to prevent the accumulation of carbon dioxide generated by the combustion of conventional fossil fuels. A potential, clean, renewable alternative fuel, which may be produced from solar energy, stored and safely transported, is hydrogen. In this work, bare CrTiO2 NTs were fabricated using an in situ anodizing process.
View Article and Find Full Text PDFOver 100 variants have been designed and studied, using multiple docking methods such as Autodock Vina, ArgusLab, Molegro Virtual Docker, and Hex-Cuda, to study the effect of alteration in the structure of carbamate-based acetylcholyne esterase (AChE) inhibitors. Sixteen selected systems were then subjected to 14 ns molecular dynamics (MD) simulations. Results from all the docking methods are in agreement.
View Article and Find Full Text PDF