How to Find a Fragment: Methods for Screening and Validation in Fragment-Based Drug Dscovery.

IF 3.6 4区医学 Q2 CHEMISTRY, MEDICINAL

ChemMedChem Pub Date : 2024-08-28 DOI:10.1002/cmdc.202400342

Tim Kirkman, Catharina Dos Santos Silva, Manuela Tosin, Marcio Vinicius Bertacine Dias

引用次数: 0

Abstract

Fragment-based drug discovery (FBDD) is a crucial strategy for developing new drugs that have been applied to diverse targets, from neglected infectious diseases to cancer. With at least seven drugs already launched to the market, this approach has gained interest in both academics and industry in the last 20 years. FBDD relies on screening small libraries with about 1000-2000 compounds of low molecular weight (about 300 Da) using several biophysical methods. Because of the reduced size of the compounds, the chemical space and diversity can be better explored than large libraries used in high throughput screenings. This review summarises the most common biophysical techniques used in fragment screening and orthogonal validation. We also explore the advantages and drawbacks of the different biophysical techniques and examples of applications and strategies.

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如何寻找片段：基于片段的药物研发中的筛选和验证方法》（How Find the Fragment: Methods for Screening and Validation in Fragment-Based Drug Dscovery）。

片段药物发现（FBDD）是开发新药的重要策略，已被应用于从被忽视的传染病到癌症等不同靶点。在过去的 20 年中，至少有 7 种药物已经投放市场，因此这种方法在学术界和工业界都引起了极大的兴趣。FBDD 依赖于使用多种生物物理方法筛选约 1000-2000 个低分子量（约 300 Da）化合物的小型文库。与高通量筛选中使用的大型化合物库相比，由于化合物的体积缩小，可以更好地探索化学空间和多样性。本综述总结了片段筛选和正交验证中最常用的生物物理技术。我们还探讨了不同生物物理技术的优缺点以及应用实例和策略。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

ChemMedChem 医学-药学

CiteScore

6.70

自引率

2.90%

发文量

280

审稿时长

1 months

期刊介绍： Quality research. Outstanding publications. With an impact factor of 3.124 (2019), ChemMedChem is a top journal for research at the interface of chemistry, biology and medicine. It is published on behalf of Chemistry Europe, an association of 16 European chemical societies. ChemMedChem publishes primary as well as critical secondary and tertiary information from authors across and for the world. Its mission is to integrate the wide and flourishing field of medicinal and pharmaceutical sciences, ranging from drug design and discovery to drug development and delivery, from molecular modeling to combinatorial chemistry, from target validation to lead generation and ADMET studies. ChemMedChem typically covers topics on small molecules, therapeutic macromolecules, peptides, peptidomimetics, and aptamers, protein-drug conjugates, nucleic acid therapies, and beginning 2017, nanomedicine, particularly 1) targeted nanodelivery, 2) theranostic nanoparticles, and 3) nanodrugs. Contents ChemMedChem publishes an attractive mixture of: Full Papers and Communications Reviews and Minireviews Patent Reviews Highlights and Concepts Book and Multimedia Reviews.