六种植物酸的抗微生物和细胞毒性活性的结构性表征和评估
Monika Kalinowska1, Renata Świsłocka1, Elżbieta Wołejko1
1Department of Chemistry, Biology and Biotechnology, Institute of Environmental Engineering and Energetics, Faculty of Civil Engineering and Environmental Sciences, Bialystok University of Technology, Bialystok, Poland.
PloS one
|June 17, 2024
概括
六种酸对细菌和癌细胞具有抗微生物和细胞毒性作用. 量子化学计算揭示了分子结构和生物特性之间的关系,有助于开发新的健康产品.
科学领域:
- 生物化学 生物化学
- 药理学 药理学是指药理学的学科.
- 计算化学计算化学
背景情况:
- 酸以其潜在的抗微生物和细胞毒性活动而闻名.
- 它们的多样化结构,通常具有基团,影响生物相互作用.
- 了解这些特性对于健康和营养方面的应用至关重要.
研究的目的:
- 评估六种酸对大肠杆菌和乳酸菌的抗菌活性.
- 评估这些化合物对Caco-2和DLD-1癌细胞系的细胞毒性作用.
- 通过计算分析探索酸的分子性质和生物活动之间的关系.
主要方法:
- 通过使用3-(4,5-dimethylthiazol-2-yl) -2,5-diphenyltetrazolium bromide (MTT) 色度测定方法确定了抗菌活性.
- 对结直肠腺癌细胞系 (Caco-2和DLD-1) 的细胞毒性进行了评估.
- 量子化学计算 (高斯式09W) 用于确定诸如电离潜力,电子亲和力和脂性 (logP) 等分子性质.
主要成果:
- 这项研究量化了原,咖啡,p-coumaric,rosmarinic,酸和酸的抗菌和细胞毒性作用.
- 计算分析提供了对影响生物活动的分子描述因素的见解.
- 分子结构和观察到的生物活性之间的相关性被部分阐明.
结论:
- 酸具有显著的抗微生物和细胞毒性潜力.
- 综合实验和计算方法提高了对结构-活动关系的理解.
- 这些发现可以指导基于酸的食补充剂,功能性食品和药品的开发.
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