Antibacterial Properties of Polyphenols: Characterization and QSAR (Quantitative Structure Activity Relationship) Models
Antibacterial Properties of Polyphenols: Characterization and QSAR (Quantitative Structure Activity Relationship) Models
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DOI：
10.3389/fmicb.2019.00829
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发表时间：
2019-04-18
影响因子：
5.2
通讯作者：
Bordes, Claire
中科院分区：
文献类型：
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作者：
Bouarab-Chibane, Lynda;Forquet, Valerian;Bordes, Claire
除了它们已确立的抗氧化活性外，许多酚类化合物还可能表现出显著的抗菌活性。在这里，一个大的数据集的35多酚对6食源性致病菌或食品腐败细菌菌株，三个革兰氏阳性菌（金黄色葡萄球菌，枯草芽孢杆菌和单核细胞增生李斯特菌）和三个革兰氏阴性菌（大肠杆菌，铜绿假单胞菌和沙门氏菌）的生长的影响，已被表征。正如预期的那样，酚类化合物的影响是高度异质性的，从细菌生长刺激到抗菌活性，并取决于细菌菌株。将每种多酚对细菌生长的影响表示为在37 ℃下孵育24小时后，含有和不含（对照）浓度为1 g L-1的多酚的培养物之间的相对细菌负荷差异（BID）。建立了可靠的定量构效关系（QSAR）模型（不考虑多酚类或所涉及的作用机制）来预测E. coli、S.肠炎S. aureus和B. subtilis，与L.单核细胞增多症和铜绿假单胞菌。L.单核细胞增多症通常对多酚敏感，而铜绿假单胞菌则不敏感。没有令人满意的模型预测铜绿假单胞菌和L。单核细胞增多症是由于它们对多酚的特异性和相当恒定的行为而获得的。可靠的QSAR模型中涉及的主要描述符是亲脂性和电子和电荷性质的多酚。建立了两种革兰氏阴性菌（E. coli、S.肠毒性）相当，表明毒性作用机制相似。对于两种革兰氏阳性菌（S。aureus和B. subtilis）。有趣的是，通过对两种革兰氏阴性细菌的表面性质进行微生物粘附溶剂（MATS）测量的初步评价（QSAR模型基于相似的物理化学描述符）显示，MATS结果也非常相似。此外，两株革兰氏阳性菌S。aureus和B.枯草杆菌的QSAR不是基于类似的物理化学描述符也有很大的不同。这些观察结果表明，大多数多酚的抗菌活性可能取决于多酚和细菌细胞表面之间的相互作用，虽然细菌菌株的表面性质应进一步研究与其他技术比MATS。
Besides their established antioxidant activity, many phenolic compounds may exhibit significant antibacterial activity. Here, the effect of a large dataset of 35 polyphenols on the growth of 6 foodborne pathogenic or food-spoiling bacterial strains, three Gram-positive ones (Staphylococcus aureus, Bacillus subtilis, and Listeria monocytogenes) and three Gram-negative ones (Escherichia coli, Pseudomonas aeruginosa, and Salmonella Enteritidis), have been characterized. As expected, the effects of phenolic compounds were highly heterogeneous ranging from bacterial growth stimulation to antibacterial activity and depended on bacterial strains. The effect on bacterial growth of each of the polyphenols was expressed as relative Bacterial Load Difference (BID) between a culture with and without (control) polyphenols at a 1 g L-1 concentration after 24 h incubation at 37 degrees C. Reliable Quantitative Structure-Activity Relationship (QSAR) models were developed (regardless of polyphenol class or the mechanism of action involved) to predict BLD for E. coli, S. Enteritidis, S. aureus, and B. subtilis, unlike for L. monocytogenes and P aeruginosa. L. monocytogenes was generally sensitive to polyphenols whereas P aeruginosa was not. No satisfactory models predicting the BLD of P aeruginosa and L. monocytogenes were obtained due to their specific and quite constant behavior toward polyphenols. The main descriptors involved in reliable QSAR models were the lipophilicity and the electronic and charge properties of the polyphenols. The models developed for the two Gram-negative bacteria (E. coli, S. Enteritidis) were comparable suggesting similar mechanisms of toxic action. This was not clearly observed for the two Gram-positive bacteria (S. aureus and B. subtilis). Interestingly, a preliminary evaluation by Microbial Adhesion To Solvents (MATS) measurements of surface properties of the two Gram-negative bacteria for which QSAR models were based on similar physico-chemical descriptors, revealed that MATS results were also quite similar. Moreover, the MATS results of the two Gram-positive bacterial strains S. aureus and B. subtilis for which QSARs were not based on similar physico-chemical descriptors also strongly differed. These observations suggest that the antibacterial activity of most of polyphenols likely depends on interactions between polyphenols and bacterial cells surface, although the surface properties of the bacterial strains should be further investigated with other techniques than MATS.