Synthesis, characterization and bioactivity of novel 8-hydroxyquinoline derivatives: Experimental, molecular docking, DFT and POM analyses

In this present research work, new 8-hydroxyquinoline derivatives were synthesized and their molecular structures were confirmed by the H-1 NMR, C-13 NMR, IR and elemental analysis. The antioxidant activity of the synthesized compounds is evaluated through their capacity to scavenge 2,2-di-phenyl-1picrylhydrazyl (DPPH) free radicals. In addition, their antibacterial activity was examined against bacterial strains of S. aureus, K. pneumonia, and E. coli. The obtained results showed that the antibacterial activity of studied compounds for Gram-positive and Gram-negative is higher than Penicillin G. The theoretical properties of selected compounds was computed by the DFT method. POM analysis (Petra/Osiris/Molinspiration) of studied molecules has been done. Their biological activities were compared against breast, liver and lung cancer proteins. The obtained results showed the synthesized derivatives were effective antibacterial and antioxidant agents against various biological material. (c) 2022 Elsevier B.V. All rights reserved.