Abstract
Development of new drugs is one of the solutions to fight against the existing antimicrobial resistance threat. Cinnamaldehyde-amino acid Schiff base compounds, are newly discovered compounds that exhibit good antibacterial activity against gram-positive and gram-negative bacteria. Quantitative structure–activity relationship (QSAR) methodology was applied to explore the correlation between antibacterial activity and compound structures. The two best QSAR models showed R2 = 0.9354, F = 57.96, and s2 = 0.0020 against Escherichia coli, and R2 = 0.8946, F = 33.94, and s2 = 0.0043 against Staphylococcus aureus. The model analysis showed that the antibacterial activity of cinnamaldehyde compounds was significantly affected by the polarity parameter/square distance and the minimum atomic state energy for an H atom. According to the best QSAR model, the screening, synthesis, and antibacterial activity of three cinnamaldehyde-amino acid Schiff compounds were reported. The experiment value of antibacterial activity demonstrated that the new compounds possessed excellent antibacterial activity that was comparable to that of ciprofloxacin.
Keywords
cinnamaldehyde-amino acid Schiff base,
screening,
synthesis,
antibacterial activity,
QSAR
Citation
Wang, Hui; Jiang, Mingyue; Sun, Fangli; Li, Shujun; Hse, Chung-Yun; Jin, Chunde. 2018. Screening, synthesis, and QSAR research on cinnamaldehyde-amino acid Schiff base compounds as antibacterial agents. Molecules. 23(11): 3027-3038. https://doi.org/10.3390/molecules23113027.
