Derivatization of (NHC)M-Cl (M = Ag, Au) with selected sulfur donors from the family of dialkyldithiophosphates and bis(2-mercapto-1-methylimidazolyl)borate ligands gave a series of heteroleptic mononuclear complexes. In single-crystal X-ray diffraction analysis, Ag(I) complexes adopted a trigonal planar geometry, while Au(I) complexes are near-linear. TD-DFT and hole-electron analyses of the selected complexes gave insight into the electronic features of the metal complexes. In vitro cellular tests were conducted on the human cancerous breast cell line MCF-7 using 2 and 8. The antibacterial activities of complexes 1, 2, 3, 7, 8, and IPr-Ag-Cl were also screened against Gram-positive (Staphylococcus aureus PTCC 1112) and Gram-negative (Escherichia coli PTCC 1330) bacteria. Antityrosinase and hemolytic effects of the selected compounds were also determined.

Department of Biological Sciences Institute for Advanced Studies in Basic Sciences 444 Prof Sobouti Blvd Gava Zang Zanjan 45137 66731 Iran

Department of Chemistry Institute for Advanced Studies in Basic Sciences 444 Prof Sobouti Blvd Gava Zang Zanjan 45137 66731 Iran

Department of Chemistry Shahid Chamran University of Ahvaz Ahwaz 6135783151 Iran

Institute of Physics of the Czech Academy of Sciences Na Slovance 2 Prague 8 18221 The Czech Republic

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