Heterocyclic (pyrazine)carboxamide Ru(II) complexes: structural, experimental and theoretical studies of interactions with biomolecules and cytotoxicity†

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dc.contributor.authorTsaulwayo, Nokwanda
dc.contributor.authorSibuyi, Nicole Remaliah Samantha
dc.contributor.authorMeyer, Mervin
dc.date.accessioned2024-11-15T12:30:54Z
dc.date.available2024-11-15T12:30:54Z
dc.date.issued2024
dc.description.abstractTreatments of N-(1H-benzo[d]imidazol-2-yl)pyrazine-2-carboxamide (HL1) and N-(benzo[d]thiazol-2-yl)pyrazine-2-carboxamide carboxamide ligands (HL2) with [Ru(p-cymene)Cl2]2 and [Ru(PPh3)3Cl2] precursors afforded the respective Ru(ii) complexes [Ru(L1)(p-cymene)Cl] (Ru1), [Ru(L2)(p-cymene)Cl] (Ru2), [Ru(L1)(PPh3)2Cl] (Ru3), and [Ru(L2)(PPh3)2Cl] (Ru4). These complexes were characterized by NMR, FT-IR spectroscopies, mass spectrometry, elemental analyses, and crystal X-ray crystallography for Ru2. The molecular structure of complex Ru2 contains one mono-anionic bidentate bound ligand and display pseudo-octahedral piano stool geometry around the Ru(ii) atom. The interactions with calf thymus DNA (CT-DNA) and bovine serum albumin (BSA) were investigated by spectroscopic techniques. The experimental binding studies suggest that complexes Ru1-Ru4 interact with DNA, primarily through minor groove binding, as supported by molecular docking results. Additionally, these complexes exhibit strong quenching of the fluorescence of tryptophan residues in BSA, displaying static quenching. The in vitro cytotoxicity studies of compounds Ru1-Ru4 were assessed in cancer cell lines (A549, PC-3, HT-29, Caco-2, and HeLa), as well as a non-cancer line (KMST-6). Compounds Ru1 and Ru2 exhibited superior cytotoxicity compared to Ru3 and Ru4.
dc.identifier.citationTsaulwayo, N., Omondi, R.O., Vijayan, P., Sibuyi, N.R., Meyer, M.D., Meyer, M. and Ojwach, S.O., 2024. Heterocyclic (pyrazine) carboxamide Ru (II) complexes: structural, experimental and theoretical studies of interactions with biomolecules and cytotoxicity. RSC advances, 14(12), pp.8322-8330.
dc.identifier.urihttps://doi.org/10.1039/d4ra00525b
dc.identifier.urihttps://hdl.handle.net/10566/19696
dc.language.isoen
dc.publisherRoyal Society of Chemistry
dc.subjectAmino acids
dc.subjectBinary alloys
dc.subjectBiomolecules
dc.subjectBovine serum albumins
dc.subjectCarboxamides
dc.titleHeterocyclic (pyrazine)carboxamide Ru(II) complexes: structural, experimental and theoretical studies of interactions with biomolecules and cytotoxicity†
dc.typeArticle

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