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Employing Photocatalysis for the Design and Preparation of DNA‐Encoded Libraries: A Case Study
The Chemical Record ( IF 6.6 ) Pub Date : 2021-02-11 , DOI: 10.1002/tcr.202000148
Dominik K Kölmel 1 , Hongyao Zhu 1 , Mark E Flanagan 1 , Sylvie K Sakata 2 , Anthony R Harris 1 , Jinqiao Wan 3 , Barry A Morgan 3, 4
Affiliation  

This Personal Account describes the authors’ foray into DNA‐encoded libraries. The article addresses several key aspects of this hit generation technology, from the development of new synthetic methodology to the subsequent conception, design, and delivery of a DNA‐encoded library. In particular, we have been engaged in adapting photocatalytic reactions to the idiosyncratic requirements of DNA‐encoded chemistry. We have chosen one such methodology, namely a photocatalytic [2+2] cycloaddition reaction, to showcase how we employed property‐based computational analyses to guide the selection and validation of building blocks for the production of a library. Ultimately, these novel bond disconnections and design principles led to the assembly of a DNA‐encoded library that is composed of structurally diverse compounds within largely desirable property space and, therefore, well positioned to deliver novel chemical matter for drug discovery programs.

中文翻译:

利用光催化设计和制备DNA编码文库:一个案例研究

此个人帐户描述了作者对DNA编码库的尝试。本文介绍了这种热门技术的几个关键方面,从开发新的合成方法到随后的概念,设计和DNA编码文库的交付。特别是,我们一直致力于使光催化反应适应DNA编码化学的特质要求。我们选择了一种这样的方法,即光催化[2 + 2]环加成反应,以展示我们如何使用基于属性的计算分析来指导选择和验证用于生产图书馆的构件的方法。最终,
更新日期:2021-04-14
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