Structural, vibrational and electrochemical analysis and antibiotic activity study of chalcone (2E)-1-(3ʹ,-methoxy-4ʹ,-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one

In the present study, the chalcone (2E)-1-(3′-methoxy-4′-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one (C16H13NO5, hereafter named AVMNB) was synthesized and structurally characterized using the 1H and 13C NMR technique and GC-MS. The vibrational and electrochemical properties of the AVMNB chalcone and its antibacterial activity against multi-resistant strains of Escherichia coli 06 and Staphylococcus aureus 10 were evaluated. The FT-Raman, ATR-FTIR, and UV-VIS spectra of the polycrystalline samples were recorded at room temperature. Quantum chemistry theoretical calculations were used to obtain information about the normal vibration modes, and the electronic transitions and the quantum chemical parameters expected for this chalcone. The pharmacokinetics properties were also estimated using the SwissADME platform. The AVMNB chalcone displayed antibacterial activity against multi-resistant strains of Staphylococcus aureus 10 and Escherichia coli 06 when associated with the ciprofloxacin and gentamicin antibiotics, respectively, indicating that this compound may contribute to the control of antibacterial resistance.