含有水的有机 (IV) 复合物:合成,表征,抗菌,抗氧化活性和分子对接研究
Bharti Taxak1, Jai Devi2, Binesh Kumar1
1Department of Chemistry, Guru Jambheshwar University of Science & Technology, Hisar, Haryana, 125001, India.
概括
新的diorganotin (IV) 复合物显示出强大的抗微生物和抗氧化活性. 复合物 (8) 对Candida albicans表现出显著的疗效,表明作为口服有效药物的潜力.
科学领域:
- 有机金属化学 有机金属化学
- 药用化学 医学化学
- 生物化学 生物化学
背景情况:
- 对于生物应用,松配体及其金属复合物进行了探索.
- 双有机 (IV) 化合物为药物开发提供独特的结构和电子特性.
研究的目的:
- 使用化联体合成新型二甲素 (IV) 复合物.
- 评估这些复合物的抗微生物和抗氧化潜力.
- 研究有前途的候选药物的分子相互作用和药理动力学特性.
主要方法:
- 用光谱技术 (NMR,IR,UV-Vis,质谱) 和X射线衍射合成diorganotin(IV) 复合物和表征.
- 通过对六种微生物菌株进行序列稀释试验评估的抗菌活性.
- 使用DPPH试验评估的抗氧化活性.
- 分子对接研究和ADME预测.
主要成果:
- 成功合成和表征了具有扭曲三角形双金字塔几何学的新型五坐标二机 (IV) 复合体.
- 复合物 (1) 和 (8) 显示出显著的抗微生物活性,复合物 (8) 与可纳相比,对Candida albicans的有效性高出四倍.
- 复合物表现出比其母联体具有更强的抗氧化疗效.
- 分子对接揭示了复合物 (8) 与C. albicans蛋白 (5TZ1) 具有强烈的结合亲和力.
- ADME的预测表明合成化合物的口服生物利用率有利.
结论:
- 合成的diorganotin (IV) 复合物是热稳定且非电解性的.
- 复合物 (8) 是一个有前途的候选人,可以进一步开发作为一种抗真菌剂来对抗Candida albicans.
- 这些化合物具有作为口服有效药物的潜力,这是由于有利的ADME特性.
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