Premium
Library Design Strategies To Accelerate Fragment‐Based Drug Discovery
Author(s) -
Troelsen Nikolaj S.,
Clausen Mads H.
Publication year - 2020
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.202000584
Subject(s) - fragment (logic) , drug discovery , combinatorial chemistry , linkage (software) , chemistry , computational biology , mass spectrometry , computer science , nanotechnology , materials science , biology , algorithm , biochemistry , chromatography , gene
Fragment‐based drug discovery (FBDD) has become an established approach for the generation of early lead candidates. However, despite its success and inherent advantages, hit‐to‐candidate progression for FBDD is not necessarily faster than that of traditional high‐throughput screening. Thus, new technology‐driven library design strategies have emerged as a means to facilitate more efficient fragment screening and/or subsequent fragment‐to‐hit chemistry. This minireview discusses such strategies, which cover the use of labeled fragments for NMR spectroscopy, X‐ray crystallographic screening of specialized fragments, covalent linkage for mass spectrometry, dynamic combinatorial chemistry, and fragments optimized for easy elaboration.