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Mini-Review Article

透明质酸酶与糖胺聚糖及其配体相互作用的实验和计算研究

卷 22, 期 8, 2022

发表于: 12 January, 2022

页: [675 - 690] 页: 16

弟呕挨: 10.2174/1566524021666211018113204

价格: $65

摘要

透明质酸酶与共聚糖胺聚糖（GAG、肝素和硫酸皮肤素）的共价缀合使酶显着失活，而与聚合GAG（硫酸软骨素和透明质酸）的缀合提高了其稳定性。这些影响与由葡萄糖醛酸和艾杜糖醛酸残基的С-5差向异构化引起的这些GAG的结构差异以及（α[1 – 4]和α[1 – 3]相对于β[1 – 4]和β的不同影响）有关[1 – 3]) 糖苷键。半乳糖 C-4 差向异构体（与葡萄糖相比）和二糖混合物（乳糖、纤维二糖、麦芽糖）对透明质酸酶的内切糖苷酶活性的显着影响强调了其多样化的多接触微环境的重要性。为了更好地理解调节透明质酸酶活性的机制，选择了分子对接和分子动力学。证明了软骨素配体对透明质酸酶热失活的稳定作用。变性温度升高 10-15oC 会阻碍活性位点入口的阻塞并防止酶失活。酶-GAG 相互作用通过分子对接与分子动力学精细化进行检查。透明质酸酶的逐步化学修饰基于计算出的 GAG 优先结合序列。理论上，硫酸软骨素三聚体在酶表面的 cs7 或 cs7、cs1 和 cs5 处的共价结合提供了对肝素抑制的完全保护。对限制酶活性的透明质酸酶微环境和相互作用的计算研究允许识别透明质酸酶内切糖苷酶活性的最佳 GAG 调节剂及其实验验证。

关键词: 透明质酸酶、单糖和二糖、糖胺聚糖、配体、分子对接、分子动力学、3D 酶结构。

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