title: Synthesis, characterization, antiproliferative and molecular docking study of new half sandwich Ir(III), Rh(III) and Ru(II) complexes.
abstract: The new carbazole N,N' ligand containing [(η(5)-C5Me5)MCl(L)]PF6, (M=Ir (1) and Rh (2)) and [(η(6)-C6H6)RuCl(L)]PF6 (3) (C5Me5=pentamethylcyclopentadienyl, L=9-ethyl-N-(pyridine-2-yl methylene)-9H-carbazole-3-amine) complexes has been synthesized and characterized by (1)H NMR, (13)C NMR, 2D NMR, melting point analysis, electronic absorption, infrared spectroscopy, HR-Mass spectroscopy and elemental analyses. The crystal structure of the [(η(5)-C5Me5)RhCl(L)]PF6 has been confirmed by single crystal XRD. The anticancer study of the synthesized complexes 1-3 clearly showed a potent inhibitor of human breast cancer cells (MCF-7) under in vitro conditions. The inhibitory concentrations (IC50) of the complexes 1-3 were determined at low (5, 6 and 8μM) concentration against the MCF-7 human breast cancer cell line. Further cytotoxic, cell cycle and nuclear studies confirmed that the novel half sandwich Ir(III), Rh(III) and Ru(II) complexes could be effective against MCF-7 human breast cancer cell proliferation. Moreover the results indicate that anticancer in vitro activity of complexes 1-3 falls in the order of 1>2>3. A molecular docking study of the complexes 1-3 showed the nature of binding energy, H-bond and hydrophobic interactions with the cyclooxygenase-2 (COX-2) receptor.
authors.affiliation: School of Chemistry and Physics, Westville Campus, University of KwaZulu-Natal, Durban 4000, South Africa.
authors.forename: Saravanan
authors.initials: S
authors.lastname: Thangavel
authors.affiliation: Proteomics Lab, Department of Zoology, Bharathiar University, Coimbatore 641 046, Tamilnadu, India.
authors.forename: Manickam
authors.initials: M
authors.lastname: Paulpandi
authors.affiliation: School of Chemistry and Physics, Westville Campus, University of KwaZulu-Natal, Durban 4000, South Africa. Electronic address: friedric@ukzn.ac.za.
authors.forename: Holger B
authors.initials: HB
authors.lastname: Friedrich
authors.affiliation: Proteomics Lab, Department of Zoology, Bharathiar University, Coimbatore 641 046, Tamilnadu, India.
authors.forename: Kadarkarai
authors.initials: K
authors.lastname: Murugan
authors.affiliation: School of Health Sciences, Westville Campus, University of KwaZulu-Natal, Durban 4000, South Africa.
authors.forename: Sukesh
authors.initials: S
authors.lastname: Kalva
authors.affiliation: School of Health Sciences, Westville Campus, University of KwaZulu-Natal, Durban 4000, South Africa.
authors.forename: Adam A
authors.initials: AA
authors.lastname: Skelton
mesh_terms: D000970:Antineoplastic Agents / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D001943:Breast Neoplasms / Q000188:drug therapy* / Q000378:metabolism / Q000473:pathology; D002227:Carbazoles / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D049109:Cell Proliferation / Q000187:drug effects*; D005260:Female; D006801:Humans; D061986:MCF-7 Cells; D062105:Molecular Docking Simulation; D009942:Organometallic Compounds / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D012413:Rubidium / Q000737:chemistry / Q000494:pharmacology; D012428:Ruthenium / Q000737:chemistry / Q000494:pharmacology
chemical_list: D000970:Antineoplastic Agents; D002227:Carbazoles; D009942:Organometallic Compounds; D012428:Ruthenium; D012413:Rubidium
keywords: Cell morphology; Cytotoxicity; Half sandwich complexes; MCF-7 cancer cell line; Molecular docking