摘要
合理的药物设计是通过对涉及疾病病理学的生物大分子的结构生物学和计算生物学的补充使用来完成的。 大多数已知的药物设计理论方法都是基于对药物结合的生物学靶标的了解。 该方法可用于设计药物分子,通过分子建模程序以及分子动力学模拟来抑制或刺激生物靶标,从而恢复信号通路的平衡。 III型受体酪氨酸激酶影响大多数基本细胞过程,包括细胞周期,细胞迁移,细胞代谢和存活以及细胞增殖和分化。 成功的合理药物设计的许多抑制剂表明,可以将某些计算技术结合起来以达到协同作用。
关键词: III型受体酪氨酸激酶,PDGFR,c-KIT,CSF1R,FLT3,合理的药物设计,计算机辅助药物设计,分子建模,对接模拟,分子动力学。
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