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Is it time for biocatalysis in fragment-based drug discovery?
Chemical Science ( IF 7.6 ) Pub Date : 2020-10-07 , DOI: 10.1039/d0sc04103c
Jeremy I Ramsden 1 , Sebastian C Cosgrove 2, 3 , Nicholas J Turner 1
Affiliation  

The use of biocatalysts for fragment-based drug discovery has yet to be fully investigated, despite the promise enzymes hold for the synthesis of poly-functional, non-protected small molecules. Here we analyze products of the biocatalysis literature to demonstrate the potential for not only fragment generation, but also the enzyme-mediated elaboration of these fragments. Our analysis demonstrates that biocatalytic products can readily populate 3D chemical space, offering diverse catalytic approaches to help generate new, bioactive molecules.

中文翻译:

基于片段的药物发现中的生物催化是时候了吗?

尽管酶有望合成多功能、无保护的小分子,但生物催化剂在基于片段的药物发现中的应用尚未得到充分研究。在这里,我们分析了生物催化文献的产品,以证明不仅具有片段生成的潜力,而且还证明了这些片段的酶介导加工的潜力。我们的分析表明,生物催化产品可以轻松填充 3D 化学空间,提供多种催化方法来帮助生成新的生物活性分子。
更新日期:2020-10-12
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