Synthesis, crystal structure, potential drug properties for Coronavirus of Co(II) and Zn(II) 2-chlorobenzoate with 3-cyanopyridine complexes.

Two new complexes of Co(II) and Zn(II) 2-chlorobenzoate (2-ClBA) with 3-cyanopyridine (CNP) of the general formula [Co(2-ClBA)2(CNP)2(H2O)2] and [Zn(2-ClBA)2(CNP)2(H2O)2] were synthesized. The structures of the complexes were characterized by single crystal XRD and FT-IR and NMR spectroscopy and Mass Spectrometry (MALDI-TOF MS) methods. Mononuclear complexes exhibit octahedral coordination. In addition, Hirshfeld surface analysis was performed to determine non-covalent interactions in crystal packing. The geometry optimization of the molecules was carried out using the LANL2DZ level of theory of the DFT method and the obtained findings were confirmed by comparing with the data obtained from the single crystal X-ray diffraction method. The theoretical and experimental bond angles and lengths are very close to each other. The effectiveness of the complexes against SARS-CoV-2 enzymes was investigated in silico using the molecular docking method, and a binding score of -8.0 kcal/mol on NSP16 of complex 1 as an inhibitor was obtained. To investigate the drug potential of the complexes, their pharmacokinetic and toxicokinetic properties were estimated by ADMET calculations.

Toxicity assessment of zinc sulfate: A commonly used compound.

Because zinc sulfate (ZnSO4) is widely used in many fields such as biomedicine, electronics, and chemistry, it is important to evaluate its toxic effects. In this study, the cyto-genotoxic effects of ZnSO4 on meristematic cells in the root tip of Allium cepa L. were investigated. After calculating the effective concentration (EC50 = 70 ppm) of ZnSO4, A. cepa root tip cells were suspended for 24, 48, 72, and 96 h in solutions of 35 ppm (EC50/2), 70 ppm (EC50), and 140 ppm (EC50 × 2) concentrations. Using the counts of dividing cells, the mitotic index (MI) was calculated. Chromosome aberration index (CAI) was determined from percentages of abnormal cells. When the obtained data were statistically evaluated, it was determined that all application concentrations caused a significant decrease in MI and an increase in CAI compared to the control group (distilled water). It was concluded that increased ZnSO4 dose concentrations and exposure times caused cytotoxicity and genotoxicity in the root cells of A. cepa L.

In vitro genotoxicity assessment and comparison of cerium (IV) oxide micro- and nanoparticles.

Cerium (IV) oxide (CeO2), which is used as a biomaterial, has wide application in areas such as the biomedical, glass polishing, electronic, automotive, and pharmacology industries. Comparing with the literature, in this study, the genotoxic effects of cerium (IV) oxide microparticles (COMPs) and cerium (IV) oxide nanoparticles (CONPs) were investigated for the first time in human peripheral blood cultures at concentrations of 0.78, 1.56, 3.125, 6.25, 12.5, 25, and 50 ppm for 72 h under in vitro conditions. Particle sizes of COMPs and CONPs were determined using scanning electron microscopic analysis. Micronucleus and chromosome aberration tests were used to determine the genotoxicity of COMPs and CONPs. The average particle sizes of COMPs and CONPs were approximately 148.25 and 25.30 nm, respectively. It was determined that CeO2 particles in both micro and nano sizes were toxic at all concentrations compared to the negative control group (distilled water). Importantly, COMPs and CONPs were genotoxic even at the lowest concentration (0.78 ppm). Comparing particle sizes, the data indicated that COMPs were more toxic than CONPs. The results suggest that genotoxicity of COMPs and CONPs may be a function of applied concentrations and particle sizes.

Investigation of the Genotoxicity of Aluminum Oxide, ß-Tricalcium Phosphate, and Zinc Oxide Nanoparticles In Vitro.

The aim of this study was to investigate the genotoxicity of aluminum oxide (Al2O3), ß-tricalcium phosphate (ß-TCP) (Ca3(PO4)2), and zinc oxide (ZnO) nanoparticles (NPs) that were 4.175, 9.058, and 19.8 nm sized, respectively, on human peripheral blood lymphocytes using micronucleus (MN) and chromosome aberration (CA) techniques. Aluminum oxide and ß-TCP NPs did not show genotoxic effects on human peripheral blood cultures in vitro, even at the highest concentrations; therefore, these materials may be suitable for use as biocompatible materials. It was observed that, even at a very low dose (≥12.5 ppm), ZnO NPs had led to genotoxicity. In addition, at high concentrations (500 ppm and above), ZnO NPs caused mortality of lymphocytes. For these reasons, it was concluded that ZnO NPs are not appropriate for using as a biocompatible biomaterial.