基于2-amino-3-hydroxypyridine Schiff基联体的新型双价过渡金属复合物:合成阐明,抗菌评估,抗氧化剂和分子对接研究
A Z El-Sonbati1, A A El-Bindary1, N M Mansour1
1Chemistry Department, Faculty of Science, Damietta University, Damietta, Egypt.
BMC chemistry
|July 2, 2025
概括
这项研究合成了具有希夫基的新型金属复合物,显示出显著的抗真菌活性和抗氧化特性. 分子对接揭示了强烈的结合亲和力,突出了它们作为制药应用中的抗真菌剂的潜力.
科学领域:
- 协调化学 协调化学
- 药用化学 医学化学
- 计算化学的计算化学
背景情况:
- 希夫基及其金属复合物因其多样化的生物活动而被广泛研究.
- 持续需要新的抗微生物和抗氧化剂来对抗药物耐药性和氧化应激.
- 金属复合物具有独特的结构和电子特性,可以提高生物效能.
研究的目的:
- 通过使用从2,4-二基甲和2-氨基-3-基二中衍生的希夫基合成和表征Cu (II),Co (II),Ni (II),Mn (II) 和UO2 (II) 的新型金属复合物.
- 评估合成化合物的体外抗微生物 (抗菌和抗真菌) 和抗氧化活性.
- 通过分子对接来研究联体及其金属复合物的结合机制和结合性,以对抗菌点.
主要方法:
- 使用光谱技术合成和表征希夫基联体及其金属复合物.
- 在体外抗微生物测定:阿加井扩散,最小抑制度 (MIC) 和最小杀菌度 (MMC).
- 使用DPPH激素清除试验进行抗氧化活性评估.
- 针对真菌标 (C. albicans,A. niger,F. oxysporum) 的分子对接研究,使用PDB IDs 5V5Z,3PL3和1FN8.
主要成果:
- 所有合成的金属复合物都表现出针对Fusarium oxysporum,Aspergillus niger和Candida albicans的显著抗真菌活性,对测试的细菌具有显著的抗菌活性.
- 二,二,二,二和二复合物表现出强大的抗氧化活性,其根基清除百分比分别为76.2%,68.4%,65.3%和60.1%.
- 分子对接显示出强大的结合亲和关系,复合物 (3) 显示出对C. albicans的最高亲和关系 (对接得分 = -9.28784) 和复合物 (5) 与F. oxysporum有效相互作用,涉及键和π相互作用.
结论:
- 合成的希夫基及其金属复合物具有有希望的广泛的抗微生物和抗氧化特性.
- 金属复合物,特别是二和二的复合物,显示出作为抗真菌剂的巨大潜力.
- 这些发现支持这些金属基化合物在制药和工业领域的应用,以开发新的治疗剂.
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