In this study, we investigated the in vitro antiproliferative activities and performed computational studies of newly synthesized fluorinated isatin-hydrazones. The chemical structures of the synthesized compounds were confirmed by FT-IR, 1D NMR (1H- and 13C NMR and APT), 2D NMR (HETCOR and HMBC), and elemental analysis. All compounds (1-15) were tested in human lung (A549) and liver (HepG2) cancer cell lines for 72 h. The compounds were screened against a healthy embryonic kidney cell line (HEK-293T) under the same conditions to determine their toxic effects. According to the results obtained, one of the compounds, in particular, compound 8 was effective at inhibiting the growth of cancerous cells, and its effects on both cancer cell lines were similar to IC50 values of 42.43 and 48.43 μM for A549 and HepG2, respectively. Compound 8, which was determined to be the best anticancer agent in vitro, was chosen to interact with the target via molecular docking. This selected ligand (compound 8) interacted with the targets 4HJO, 4ASD, 3POZ, and 7TZ7, and docked into the active sites. The docking score, Glide energy, and Glide emodel values were calculated and determined to be lower than those of the reference compound cisplatin. The pharmacokinetic properties, stability, and drug-likeness parameters of all designed compounds were estimated using SwissADME. Finally, the binding affinities of compound 8 for all four targets were calculated using the MM-GBSA method.
22 January 2024 in Optical and Quantum Electronics
Consumption of cosmetic products in daily life in order to improve skin quality or appearance is becoming quite common. Over time, it may expose consumers to skin problems and effects caused by the absorption of chemical elements. Clean cosmetic production is important for our health. However, heavy metals can be found as impurities in raw materials or as by-products of the cosmetic production process. Women's ingestion and exposure to organic and inorganic contaminants in cosmetics through dermal absorption, due to reasons such as personal habits and characteristics of the living environment, may contribute to carcinogenic risks following daily dietary exposure. NCS ZC 81002b (Human Hair) was performed as a certified reference material in method validation. This work was conducted to evaluate element concentrations of selected elements (Al, Cr, Mn, Fe, Co, Ni, Cu, Zn, As, Se, Hg, Cd and Pb) in 3 different brands of children's cosmetic products such as bright and colorful 22 eye shadows (7 different colour) 4 lipsticks (3 different colour) and 4 nail polishes (3 different colour) used by children in Turkey. The sample solutions were analyzed with the inductively coupled plasma mass spectrometry (ICP-MS) technique after the microwave digestion system. Consequently, the highest concentration of Al used as pigment was found in the eye shadow, lipstick and nail polish samples for the 3 brands, while the Se concentrations were the lowest in lipstick samples. The results of As, Cd, Hg, Pb, which are restricted or banned for use in cosmetic products in most countries, are below the limits set by the Food and Drug Administration (FDA) and Health Canada Product Safety Laboratory (PSL).