Synthesis, cytotoxicity and docking studies (with SARS-CoV-2) of water-soluble binuclear Ru-p-cymene complex holding indole thiosemicarbazone ligand

https://doi.org/10.1016/j.inoche.2021.109029Get rights and content

Highlights

  • Synthesis of water-soluble binuclear Ru(II)-p-cymene complex containing indole thiosemicarbazone ligand.

  • The complex exhibited piano-stool geometry around Ru(II) ion.

  • The Ru(II)-p-cymene complex showed superior cytotoxic activity than cisplatin.

  • The Ru(II)-p-cymene complex selectively inhibited the cancer cells.

  • The compounds showed good binding ability with the spike protein and main protease of SARS-CoV-2.

Abstract

A water-soluble binuclear organometallic Ru-p-cymene complex [Ru(η6-p-cymene)(η2-L)]2 (1) was prepared from (E)-2-((1H-indol-3-yl)methylene)-N-phenylhydrazine-1-carbothioamide (HL) and [RuCl2(p-cymene)]2 in methanol at room temperature under inert atmosphere. The structure of binuclear complex was analyzed by UV–Visible, FT-IR, NMR and mass spectroscopic methods. The solid-state structure of the complex was ascertained by single crystal X-ray diffraction technique. The complex exhibited pseudo-octahedral (piano-stool) geometry around Ru(II) ion. The cytotoxic property of the ligand and complex along with cisplatin was investigated against A549-lung, MCF-7-breast, HeLa-cervical, HepG-2-liver, T24-urinary bladder and EA.hy926-endothelial cancer cells, and Vero-kidney epithelial normal cells. The complex exhibited superior activity than cisplatin against A549, HeLa and T24 cancer cells with the IC50 values of 7.70, 11.2, and 5.05 µM, respectively. The complexes were cytotoxic specifically to the cancer cells. Molecular docking studies showed good binding potential of the ligand and complex with the spike protein and main protease of SARS-CoV-2, indicating the promising role of these compounds as antiviral compounds.

Graphical abstract

Piano-stool water-soluble binuclear organometallic Ru-p-cymene complex was synthesized and characterized. The complex exhibited superior activity than cisplatin against A549, HeLa, HepG-2, T24 and EA.hy926 cancer cells. The compounds showed potential binding ability towards the spike protein and main protease of SARS-CoV-2.

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Keywords

Thiosemicarbazone
Ru(II)-arene complex
Piano-stool
Cytotoxicity
SARS-CoV-2
Molecular docking

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