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The Medicinal Chemistry in the Era of Machines and Automation: Recent Advances in Continuous Flow Technology.
Journal of Medicinal Chemistry ( IF 6.8 ) Pub Date : 2020-02-12 , DOI: 10.1021/acs.jmedchem.9b01956
Antimo Gioiello 1 , Alessandro Piccinno 1 , Anna Maria Lozza 1 , Bruno Cerra 1
Affiliation  

Medicinal chemistry plays a fundamental and underlying role in chemical biology, pharmacology, and medicine to discover safe and efficacious drugs. Small molecule medicinal chemistry relies on iterative learning cycles composed of compound design, synthesis, testing, and data analysis to provide new chemical probes and lead compounds for novel and druggable targets. Using traditional approaches, the time from hypothesis to obtaining the results can be protracted, thus limiting the number of compounds that can be advanced into clinical studies. This challenge can be tackled with the recourse of enabling technologies that are showing great potential in improving the drug discovery process. In this Perspective, we highlight recent developments toward innovative medicinal chemistry strategies based on continuous flow systems coupled with automation and bioassays. After a discussion of the aims and concepts, we describe equipment and representative examples of automated flow systems and end-to-end prototypes realized to expedite medicinal chemistry discovery cycles.

中文翻译:

机械和自动化时代的药物化学:连续流技术的最新进展。

药物化学在化学生物学,药理学和医学中起着基础和潜在的作用,以发现安全有效的药物。小分子药物化学依赖于由化合物设计,合成,测试和数据分析组成的迭代学习周期,以提供新的化学探针和用于新型药物目标的先导化合物。使用传统方法,从假设到获得结果的时间可能会延长,从而限制了可推进临床研究的化合物数量。可以通过使能技术来解决这一挑战,这些技术在改善药物发现过程中显示出巨大的潜力。从这个角度来看,我们重点介绍了基于连续流系统以及自动化和生物测定的创新药物化学策略的最新发展。在讨论了目标和概念之后,我们将介绍设备和具有代表性的示例,这些设备和示例性的自动化流程系统和为加快药物化学发现周期而实现的端到端原型。
更新日期:2020-02-12
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