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G-quadruplex virtual drug screening: A review
Biochimie ( IF 3.9 ) Pub Date : 2018-06-30 , DOI: 10.1016/j.biochi.2018.06.024
Robert C. Monsen , John O. Trent

Over the past two decades biologists and bioinformaticians have unearthed substantial evidence supporting a role for G-quadruplexes as important mediators of biological processes. This includes telomere damage signaling, transcriptional activity, and splicing. Both their structural heterogeneity and their abundance in oncogene promoters makes them ideal targets for drug discovery. Currently, there are hundreds of deposited DNA and RNA quadruplex atomic structures which have allowed researchers to begin using in silico drug screening approaches to develop novel stabilizing ligands. Here we provide a review of the past decade of G-quadruplex virtual drug discovery approaches and campaigns. With this we introduce relevant virtual screening platforms followed by a discussion of best practices to assist future G4 VS campaigns.



中文翻译:

G-四联体虚拟药物筛选:综述

在过去的二十年中,生物学家和生物信息学家出土了大量证据,证明G四联体作为生物过程的重要介体的作用。这包括端粒损伤信号传导,转录活性和剪接。它们的结构异质性和癌基因启动子的丰富性使其成为药物发现的理想靶标。目前,有数百种沉积的DNA和RNA四重原子结构,使研究人员可以开始在计算机上使用开发新型稳定配体的药物筛选方法。在这里,我们提供了对G-四链体虚拟药物发现方法和活动的过去十年的回顾。借此,我们介绍了相关的虚拟放映平台,然后讨论了最佳实践,以协助将来的G4 VS活动。

更新日期:2018-06-30
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