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Review Article

GPCR变构:从计算生物学的观点

卷 30, 期 40, 2023

发表于: 16 February, 2023

页: [4533 - 4553] 页: 21

弟呕挨: 10.2174/0929867330666230113125246

价格: $65

摘要

G蛋白偶联受体(gpcr)是细胞表面蛋白的一个大超家族，介导细胞信号传导并调节生理和病理过程的各个方面，因此是药物靶点的丰富来源。作为固有的变构蛋白，GPCRs的许多功能是通过变构调节的，即在远端位点结合的变构调节剂调节典型的正构位点的功能。然而，由于GPCR的高动态结构，目前只有少数GPCR变构配体被批准作为药物。幸运的是，计算生物学的快速发展为理解GPCR变构配体的机制提供了线索，这对发现新的治疗药物至关重要。在这里，我们全面概述了目前在计算生物学中与G蛋白偶联受体变构及其构象动力学相关的可用资源和方法。此外，还讨论了该领域目前的局限性和主要挑战。

关键词: 蛋白偶联受体，变构，变构调节剂，计算生物学，分子动力学模拟，构象动力学。

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