Fragment-based approaches in drug discovery and chemical biology

DE Scott, AG Coyne, SA Hudson, C Abell - Biochemistry, 2012 - ACS Publications
Fragment-based approaches to finding novel small molecules that bind to proteins are now
firmly established in drug discovery and chemical biology. Initially developed primarily in a …

How well can fragments explore accessed chemical space? A case study from heat shock protein 90: miniperspective

SD Roughley, RE Hubbard - Journal of medicinal chemistry, 2011 - ACS Publications
1.1. Fragments. The central idea in fragment-based discovery is that screening a target
against a small number (as few as 500 compounds) of low molecular weight compounds …

The SeeDs approach: integrating fragments into drug discovery

RE Hubbard, B Davis, I Chen… - Current Topics in …, 2007 - ingentaconnect.com
Finding novel compounds as starting points for optimization is a major challenge in drug
discovery research. Fragment-based methods have emerged in the past ten years as an …

Drugging challenging targets using fragment-based approaches

AG Coyne, DE Scott, C Abell - Current opinion in chemical biology, 2010 - Elsevier
Fragment-based approaches have now become firmly established in the drug discovery
armoury. After notable early successes against protein kinases, the versatility and power of …

Recent developments in fragment-based drug discovery

M Congreve, G Chessari, D Tisi… - Journal of medicinal …, 2008 - ACS Publications
The field of fragment-based drug discovery (FBDDa) has developed significantly over the
past 10 years and is now recognized as a tangible alternative to more traditional methods of …

Fragment-based screening by protein crystallography: successes and pitfalls

Z Chilingaryan, Z Yin, AJ Oakley - International journal of molecular …, 2012 - mdpi.com
Fragment-based drug discovery (FBDD) concerns the screening of low-molecular weight
compounds against macromolecular targets of clinical relevance. These compounds act as …

Fragment based drug design: from experimental to computational approaches

A Kumar, A Voet, KYJ Zhang - Current medicinal chemistry, 2012 - ingentaconnect.com
Fragment based drug design has emerged as an effective alternative to high throughput
screening for the identification of lead compounds in drug discovery in the past fifteen years …

Fragment hits: what do they look like and how do they bind?

F Giordanetto, C Jin, L Willmore, M Feher… - Journal of medicinal …, 2019 - ACS Publications
A “fragment hit”, a molecule of low molecular weight that has been validated to bind to a
target protein, can be an effective chemical starting point for a drug discovery project. Our …

Six biophysical screening methods miss a large proportion of crystallographically discovered fragment hits: a case study

J Schiebel, N Radeva, SG Krimmer, X Wang… - ACS chemical …, 2016 - ACS Publications
Fragment-based lead discovery (FBLD) has become a pillar in drug development. Typical
applications of this method comprise at least two biophysical screens as prefilter and a …

Application of fragment-based drug discovery to versatile targets

Q Li - Frontiers in molecular biosciences, 2020 - frontiersin.org
Fragment-based drug discovery (FBDD) is a powerful method to develop potent small-
molecule compounds starting from fragments binding weakly to targets. As FBDD exhibits …