开发具有抗氧化剂增强的氨酸衍生物,其功能与甲和甲-4-甲:综合实验和in silico评估
Mohamed E Hassan1, Tamer M Tamer2, Katarina Valachova3
1Centre of Experimental Medicine of Slovak Academy of Sciences, Dubravska cesta 9, Bratislava, 84104, Slovakia; Center of Scientific Excellence-Group of Advanced Materials and Nanotechnology, Chemistry of Natural and Microbial Products Department, National Research Center, El Behouth Street, Cairo, 12622, Egypt.
新型氨酸衍生物HA-Cin和HA-Pyr显示出增强的抗氧化和生物相容性特性. 这些发现表明它们在先进的伤口包裹中可能适用于慢性伤口管理.
科学领域:
- 生物材料科学 生物材料科学
- 聚合物化学 聚合物化学
- 药用化学 医学化学
背景情况:
- 氨酸 (HA) 是一种具有治疗潜力的关键多糖,但其制药性质需要增强.
- 开发具有改进功能的新型HA衍生物对于先进的生物医学应用至关重要.
- 抗氧化和生物相容材料在伤口愈合应用中非常受欢迎.
研究的目的:
- 通过将HA与甲和甲-4-碳酸结合,合成和描述新型甲衍生物HA-Cin和HA-Pyr.
- 评估合成的HA衍生物的抗氧化活性和in silico安全概况 (ADMET).
- 评估HA-Cin和HA-Pyr在潜在的伤口包装应用中的生物相容性和分子相互作用.
主要方法:
- 通过化学结合合成HA-Cin和HA-Pyr.
- 使用元素分析,1H NMR,FT-IR和UV-Vis光谱学进行表征.
- 在体外抗氧化剂测定 (ABTS•+和DPPH•激素清除),在基ADMET预测,纤维细胞毒性测定和对细胞クロームc过氧化酶的分子对接研究.
主要成果:
- HA-Pyr表现出强大的激素清除活性 (76.23%的ABTS•+, 68.18%的DPPH•),而HA-Cin表现出中度的DPPH•清除 (34.1%). 原生HA显示出最小的活性.
- 在基中ADMET分析预测了两种衍生物的有利安全性 (非肝毒性,非致癌性,非变异性,非细胞毒性),具有良好的药物动力学特性.
- 细胞毒性测定证实了HA-Cin和HA-Pyr的生物相容性. 分子对接揭示了HA-Cin和HA-Pyr与细胞染色体c过氧化酶 (-17.01和19.02 kcal/mol) 的结合亲和力比原生HA (-15.59 kcal/mol) 强.
结论:
- HA-Cin和HA-Pyr是成功合成的HA衍生物,具有显著增强的抗氧化特性和出色的生物相容性.
- 在 silico 和 in vitro 结果支持这些新型化合物的安全性和有效性.
- HA-Cin和HA-Pyr对开发创新的伤口包裹来有效治疗慢性伤口表现有前途.
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