Practical application of ligand efficiency metrics in lead optimisation

Practical application of ligand efficiency metrics in lead optimisation Bioorganic & Medicinal Chemistry 26 (2018) 3006–3015 Contents lists available at ScienceDirect Bioorganic & Medicinal Chemistry journal homepage: www.elsevier.com/locate/bmc Practical application of ligand efficiency metrics in lead optimisation a b,⇑ James S. Scott , Michael J. Waring Medicinal Chemistry, Oncology, IMED Biotech Unit, AstraZeneca, Cambridge CB4 0WG, United Kingdom Northern Institute for Cancer Research, Chemistry, School of Natural and Environmental Sciences, Bedson Building, Newcastle University, Newcastle upon Tyne NE1 7RU, United Kingdom ar ti c l e i nf o ab stra ct Article history: The use of composite metrics that normalise biological potency values in relation to markers of physic- Received 1 February 2018 ochemical properties, such as size or lipophilicity, has gained a significant amount of traction with many Revised 30 March 2018 medicinal chemists in recent years. However, there is no consensus on best practice in the area and their Accepted 2 April 2018 application has attracted some criticism. Here we present our approach to their application in lead opti- Available online 5 April 2018 misation projects, provide an objective discussion of the principles we consider important and illustrate how our use of lipophilic ligand efficiency enabled the progression of a number of our successful drug http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Bioorganic & Medicinal Chemistry Elsevier

Practical application of ligand efficiency metrics in lead optimisation

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Publisher
Elsevier
Copyright
Copyright © 2018 Elsevier Ltd
ISSN
0968-0896
D.O.I.
10.1016/j.bmc.2018.04.004
Publisher site
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Abstract

Bioorganic & Medicinal Chemistry 26 (2018) 3006–3015 Contents lists available at ScienceDirect Bioorganic & Medicinal Chemistry journal homepage: www.elsevier.com/locate/bmc Practical application of ligand efficiency metrics in lead optimisation a b,⇑ James S. Scott , Michael J. Waring Medicinal Chemistry, Oncology, IMED Biotech Unit, AstraZeneca, Cambridge CB4 0WG, United Kingdom Northern Institute for Cancer Research, Chemistry, School of Natural and Environmental Sciences, Bedson Building, Newcastle University, Newcastle upon Tyne NE1 7RU, United Kingdom ar ti c l e i nf o ab stra ct Article history: The use of composite metrics that normalise biological potency values in relation to markers of physic- Received 1 February 2018 ochemical properties, such as size or lipophilicity, has gained a significant amount of traction with many Revised 30 March 2018 medicinal chemists in recent years. However, there is no consensus on best practice in the area and their Accepted 2 April 2018 application has attracted some criticism. Here we present our approach to their application in lead opti- Available online 5 April 2018 misation projects, provide an objective discussion of the principles we consider important and illustrate how our use of lipophilic ligand efficiency enabled the progression of a number of our successful drug

Journal

Bioorganic & Medicinal ChemistryElsevier

Published: Jul 15, 2018

References

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