An Integrated Approach for Fragment‐Based Lead Discovery: Virtual, NMR, and High‐Throughput Screening Combined with Structure‐Guided Design. Application to the Aspartyl Protease Renin.

After 20 years of sometimes quiet growth, fragment-based drug discovery (FBDD) has become mainstream. More than 30 drug candidates derived from fragments have entered the clinic, with two approved and several more in advanced trials. FBDD has been widely applied in both academia and industry, as evidenced by the large number of papers from universities, non-profit research institutions, biotechnology companies and pharmaceutical companies. Moreover, FBDD draws on a diverse range of disciplines, from biochemistry and biophysics to computational and medicinal chemistry. As the promise of FBDD strategies becomes increasingly realized, now is an opportune time to draw lessons and point the way to the future. This Review briefly discusses how to design fragment libraries, how to select screening techniques and how to make the most of information gleaned from them. It also shows how concepts from FBDD have permeated and enhanced drug discovery efforts.

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Twenty years on: the impact of fragments on drug discovery

Erlanson

Fesik

Hubbard

et al. 2016

Nat Rev Drug Discov

825

824

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Biophysical screening in fragment-based drug design: a brief overview

Robson-Tull

2018

Bioscience Horizons: The International Journal of Student Research

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An Integrated Approach for Fragment‐Based Lead Discovery: Virtual, NMR, and High‐Throughput Screening Combined with Structure‐Guided Design. Application to the Aspartyl Protease Renin.

Cited by 2 publications

References 110 publications

Twenty years on: the impact of fragments on drug discovery

Twenty years on: the impact of fragments on drug discovery

Biophysical screening in fragment-based drug design: a brief overview

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