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Open AccessArticle

Screening, Synthesis, and QSAR Research on Cinnamaldehyde-Amino Acid Schiff Base Compounds as Antibacterial Agents

1
School of Engineering, Zhejiang A&F University, Lin’an 311300, China
2
Key Laboratory of Bio-Based Material Science and Technology of the Ministry of Education, Northeast Forestry University, Harbin 150040, China
3
Southern Research Station, USDA Forest Service, Pineville, LA 71360, USA
*
Authors to whom correspondence should be addressed.
Molecules 2018, 23(11), 3027; https://doi.org/10.3390/molecules23113027
Received: 2 November 2018 / Accepted: 13 November 2018 / Published: 20 November 2018
(This article belongs to the Special Issue QSAR and QSPR: Recent Developments and Applications)
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. View Full-Text
Keywords: cinnamaldehyde-amino acid schiff base; screening; synthesis; antibacterial activity; QSAR cinnamaldehyde-amino acid schiff base; screening; synthesis; antibacterial activity; QSAR
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MDPI and ACS Style

Wang, H.; Jiang, M.; Sun, F.; Li, S.; Hse, C.-Y.; Jin, C. Screening, Synthesis, and QSAR Research on Cinnamaldehyde-Amino Acid Schiff Base Compounds as Antibacterial Agents. Molecules 2018, 23, 3027.

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