Aminobenzimidazole‐based (η6‐p‐cymene)ruthenium (II) complexes as nascent anticancer chemotherapeutics: Synthesis, crystal structure, DFT studies, HSA interactions, molecular docking, and cytotoxicity. (28th April 2022)

• Record Type: Journal Article
• Authors: Khan, Rais Ahmad; AlFawaz, Amal; Farshori, Nida N.; Paul, Anup; Jaafar, Mohammed H.; Alsalme, Ali
• Is Part Of: Applied organometallic chemistry. Volume 36:Number 6(2022)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2022-04-28
• Subjects: cytotoxicity -- HSA binding -- molecular docking -- ruthenium cymene complexes -- X‐ray structure; Organometallic chemistry -- Periodicals; Organometallic compounds -- Periodicals; 547.05
• DOI: 10.1002/aoc.6702
• Languages: English
• ISSNs: 0268-2605

Abstract

Abstract : Two half‐sandwich organometallic ruthenium (II) complexes containing analogs of aminobenzimidazole of molecular formula [ η 6 ‐ p ‐cymene)Ru (L H )Cl2 ] 1 and [ η 6 ‐ p ‐cymene)Ru (L Me )Cl2 ] 2, where L H and L Me represent 2‐aminobenzimidazole and 2‐amino‐1‐methylbenzimidazole, respectively, have been synthesized and characterized by FT‐IR, NMR ( 1 H, 13 C), ESI‐MS, elemental analysis, and single X‐ray crystallography (for 1 ). Both complexes 1 and 2 were studied for human serum albumin (HSA) binding affinity using intrinsic, synchronous, three‐dimensional (3D) fluorescence, thermodynamics parameter, and Förster resonance energy transfer (FRET) analysis. The Stern–Volmer constant ( K SV ) values are of the order of ×10 5 M −1 and increases in K SV with temperature ascertained the static quenching. The molecular docking of both the complexes with HSA was carried out to ascertain the binding sites/pockets. Furthermore, compounds were evaluated for their cytotoxic potential against three human cancer cell lines, namely, HeLa, HepG2, MCF‐7, and non‐tumorigenic HEK293 cells. The IC50 value of 2 was found to <10 μM against Hela and HepG2 cancer cells and has better cytotoxic properties than cisplatin (a standard drug), yet showed minimal toxicity against HEK293 cells. These results suggest further investigation for the development of ruthenium complex 2 as potential anticancer therapeutics. Abstract : Two half‐sandwich organometallic ruthenium (II) complexes containing analogs of aminobenzimidazole of molecular formula [ η 6 ‐p‐cymene)Ru (L H )Cl2 ] 1 and [ η 6 ‐p‐cymene)Ru (L Me )Cl2 ] 2 have been synthesized and characterized by using various spectroscopic techniques. Both complexes were studied for HSA binding affinity using intrinsic, synchronous, 3D fluorescence, thermodynamics parameter, and FRET analysis. The IC50 value of 2 was found to <10 µM against Hela and HepG2 cancer cells and has better cytotoxic properties than cisplatin (a standard drug), yet showed minimal toxicity against HEK293 cells.