AUTHOR=Revillo Imbernon Julia , Chiesa Luca , Kellenberger Esther 

TITLE=Mining the Protein Data Bank to inspire fragment library design

JOURNAL=Frontiers in Chemistry

VOLUME=Volume 11 - 2023

YEAR=2023

URL=https://www.frontiersin.org/journals/chemistry/articles/10.3389/fchem.2023.1089714

DOI=10.3389/fchem.2023.1089714

ISSN=2296-2646

ABSTRACT=The fragment approach has emerged as a method of choice for drug design, as it allows difficult therapeutic targets to be addressed. Success lies in the choice of the screened chemical library and the biophysical screening method, and also in the quality of the selected fragment and structural information used to develop a drug-like ligand. It has recently been proposed that promiscuous compounds, i.e. those that bind to several proteins, present an advantage for the fragment approach because they are likely to give frequent hits in screening.