Synthesis, In silico and in vitro studies of Silver (I)-N heterocyclic carbene complexes

In the present study, four silver based NHC (N-heterocyclic carbene) complexes (1c-4c) were designed and synthesized from their precursor salts (1b-4b). The successful synthesis of salts and complexes was assured through spectroscopic techniques (UV-visible, FTIR, 1H NMR) as well as mass spectrometry. The in silico ADMET study and molecular docking calculations predicted the compounds are good drug candidates having therapeutic potential against multiple cancer targets including COX-1, VEGFA, HIF as well as VGF. Results of in vitro study conducted through MTT assay confirmed that all test compounds have concentration dependent potency but silver complexes (1c-4c) have far superior activity than precursor, salts (1b-4b) and slightly lower than standard drugs (carboplatin and cisplatin) against various cancer cell lines. Among the studied compounds, 3c showed lowest IC50 value of 0.981± 0.09, 1.10± 0.14 and 0.973± 0.12 µg/mL against MCF-7, HCT-116 and A549 respectively. The test compounds were found good antibacterial agents, when screened against bacterial strains (Staphylococcus aureus, Micrococcus luteus, Escherichia coli and Salmonella typhimurium), as well as antioxidant agents when tested against DPPH free radicals.