【摘 要】
：
本文采用Molsoft软件对蘑菇酪氨酸酶与酚类小分子抑制剂如曲酸(Kojic acid)、Clavatol等的结合模式进行预侧，以期获得结合方式等方面的信息为抑制剂的快速筛选和结构改造
【机 构】
：
厦门大学生命科学学院,厦门,361005
【出 处】
：
华东六省一市生物化学与分子生物学会2008年学术交流会
论文部分内容阅读
本文采用Molsoft软件对蘑菇酪氨酸酶与酚类小分子抑制剂如曲酸(Kojic acid)、Clavatol等的结合模式进行预侧，以期获得结合方式等方面的信息为抑制剂的快速筛选和结构改造奠定基础。结果表明，两种底物，两种抑制剂的对接的能量比较接近，以L-DOPA的结合能量最低，Clavotol的最高，L-Tyrosin的RMSD最低。在结合模式中，无论是底物或抑制剂都首先与二价铜离子之间成键，同时可分别与85位的精氨酸；82位组氮酸以及72位的酪氨酸等之间形成氢键。
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