基于水的过渡金属的生物和计算研究 (II) 复合体
Binesh Kumar1, Jai Devi1, Amit Dubey2,3
1Department of Chemistry, Guru Jambheshwar University of Science and Technology, 125001, Hisar, Haryana, India.
Chemistry & biodiversity
|July 23, 2024
概括
新的金属复合体对结核病和其他感染有强烈的活性. 复合物[Zn(L) 2 ((H2O) 2]显示出作为一种新型抗结核剂的显著潜力,相当于 estreptomycin.
科学领域:
- 无机化学 无机化学
- 药用化学 医学化学
- 计算化学的计算化学
背景情况:
- 传染病对全球健康产生重大影响,并推动了医学进步.
- 新型金属复合物的合成和评估对于发现新的抗菌剂至关重要.
研究的目的:
- 为了合成和描述新型的Co (II),Ni (II),Cu (II) 和Zn (II) 复合物与N'- ((4-nitrobenzylidene) benzohydrazide.
- 评估这些复合体对结核病,炎症,细菌和真菌的体外生物活性.
主要方法:
- 金属复合物的合成和光谱表征.
- 在体外抗菌和抗炎测定.
- 药模拟,分子对接,DFT,MESP和ADMET分析. 这是一个非常好的方法.
主要成果:
- 复合体表现出八面体立体化学.
- [Zn(L) 2 ((H2O) 2)) 复合物 (5) 显示出显著的抗结核活性 (MIC 0.0196±0.0003 μmol/mL),相当于链杆菌素.
- 复合物 (5) 还表现出强大的抗炎,抗菌和抗真菌特性,具有IC50 (07.49±0.08μM) 和MIC (0.0098μmol/mL) 值.
结论:
- 合成的金属复合物,特别是复合物[Zn(L) 2 ((H2O) 2],显示出对传染病有前途的治疗潜力.
- 计算研究支持复合物的生物活性,突出了其用于合理药物设计的潜力.
- 进一步的体内研究是有必要的,以探索复合物的治疗疗效,用于结核病治疗.
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