Xanthene derivatives are an important class of heterocyclic compounds with a wide spectrum of pharmacological activities. In our previous investigations, we found the good antiproliferative activity of two xanthene derivatives, with minimal toxicity investigated by in vitro tests. In this study, we tested the interaction of compound 1 (powerful potent antiproliferative compound) with calf thymus DNA (CT-DNA) under physiological conditions by spectrophotometric titration. The probable prediction of binding and the type of interaction forces involved in the arrangement between xanthene derivatives and CT-DNA were explored also through molecular docking studies. The results indicated that compound 1 interacts with CT-DNA by grove binding. The binding constant was found to be 2.5 ∙ 10 4 M −1 indicating the non-covalent binding of compound 1 to CT-DNA. Docking study results proposed possible binding modes, with binding energies of −9.39 and −8.65 kcal mol −1 for compounds 1 and 2, respectively, which supported previously obtained in vitro results for antiproliferative activity. In addition to experimental investigation, density functional theory (DFT) calculation with B3LYP/6-31G*, B3LYP/6-31G**, and B3LYP/6-31+G* levels of theories was performed on compounds 1 and 2 to obtain optimised geometry, spectroscopic and electronic properties. These studies could help in understanding the mechanisms of toxicity, resistance, side effects of xanthene derivatives, and their binding action mechanism to DNA

This work aimed to describe the synthesis and characterisation of two anionic Ru(III) complexes of the general formula Na[Ru - Cl 2 ( N -4-Cl-Ph-salim) 2 ] and Na[RuCl 2 ( N -3-Br-Ph-salim) 2 , their associated ligands, and determine their antioxidant activity. The ligands N- 4-Cl-phenylsalicylidenimine ( N -4-Cl-Ph-salimH, HL a ) and N- 3-Br-phenylsalicylidenimine ( N -3-Br-Ph-salimH, HL b ), Schiff bases, were synthesised from salicylaldehyde and chloroaniline or bromoaniline. The compounds were characterised us - ing IR spectroscopy and ESI ToF mass spectrometry. The following was confirmed: coordination of ligands on the Ru(III) centre, the molecular formulas, and the corresponding M − ions: [C 26 H 18 N 2 O 2 Cl 4 Ru] − ion, (m/z: 631.9173) and [C 26 H 18 N 2 O 2 Cl 2 Br 2 Ru] − ion, (m/z: 719.8283). The antioxidant activity was determined by the ABTS (2,2’-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) and DPPH (1,1-diphenyl-2-picrylhydrazyl) assays. In contrast to the ligands, both complexes proved to be strong scaven - gers of the ABTS and DPPH radicals with IC 50 (half maximal inhibitory concentration) values comparable to those of Trolox. As such, they present valuable candidates for further research related to their biological properties.

Two tetraketone derivatives, one previously reported and one novel, were synthesized, whose structures have been confirmed by elemental analyses, NMR, HPLC-MS, and IR spectroscopy. The crystal structures of synthesized tetraketones were determined using X-ray single-crystal diffraction. To analyze the molecular geometry and compare with experimentally obtained X-ray crystal data of synthesized compounds 1 (2,2'-((4-nitrophenyl)methylene)bis(5,5-dimethylcyclohexane-1,3-dione)) and 2 (2,2'-((4-hydroxy-3-methoxy-5-nitrophenyl)methylene)bis(5,5-dimethylcyclohexane-1,3-dione)), DFT calculations were performed with the standard 6-31G*(d), 6-31G**, and 6-31+G* basis sets. The calculated HOMO-LUMO energy gap for compound 1 was 4.60 eV and this value indicated that compound 1 is chemically more stable compared to compound 2 whose energy gap was 3.73 eV. Both compounds' calculated bond lengths and bond angles were in very good accordance to experimental values determined by X-ray single-crystal diffraction.

This article reports on an investigation into the ability of SiO2–Ta2O5 as a new sorbent for simultaneous preconcentration of Cd(ii), Co(ii), Cr(iii), Cu(ii), Fe(iii), Mn(ii), Ni(ii) and Pb(ii) ions from water by the column method and the parameters involved in this process.

This article reports on an investigation into the ability of SiO2–Ta2O5 as a new sorbent for simultaneous preconcentration of Cd(ii), Co(ii), Cr(iii), Cu(ii), Fe(iii), Mn(ii), Ni(ii) and Pb(ii) ions from water by the column method and the parameters involved in this process.

A phenotypic was performed against HR leukaemia cell lines with a tailored compound library of 3707 approved drugs and pharmacologically active compounds. studies. OC potently induced autophagy in SK-BR-3 by upregulation of LCA/B, Atg-3, Atg-7, Atg-16L within 6 – 12 hour treatment. OC had no effect on the viability of the non-tumorigenic MCF-12A and RSC 96 cells. In vivo , 5 – 10 mg/kg oral/ip dose range of OC potently inhibited 65% – 90% tumour growth both BT-474 and MDA-MB-231 BC cells xenograft models. This was further confirmed by significant reductions of Ki-67, CD31in treated animal tumours by IHC. Conclusion Collectively, these promising results suggest that OC is a unique dual Met/HER2 inhibitory lead entity with excellent therapeutic potential to control breast malignancies with aberrant Met or HER2 activity.