Validity of Ligand Efficiency Metrics-Reference-Cited by-同舟云学术

Validity of Ligand Efficiency Metrics

Published:2014-05-09 Issue:6 Volume:5 Page:616-618
ISSN:1948-5875
Container-title:ACS Medicinal Chemistry Letters
language:en
Short-container-title:ACS Med. Chem. Lett.

Author:

Murray Christopher W.¹,Erlanson Daniel A.²,Hopkins Andrew L.³,Keserü György M.⁴,Leeson Paul D.⁵,Rees David C.¹,Reynolds Charles H.⁶,Richmond Nicola J.⁵

Affiliation:

1. Astex Pharmaceuticals, 436 Cambridge Science Park, Milton Road, Cambridge CB4 0QA, U.K.

2. Carmot Therapeutics, Inc., 409 Illinois Street, San Francisco, California 94158, United States

3. Division of Biological Chemistry and Drug Discovery, College of Life Sciences, University of Dundee, Dundee DD1 5EH, U.K.

4. Research Centre for Natural Sciences, Hungarian Academy of Sciences, 1117 Budapest, Magyar Tudósok körútja 2., 1525 Budapest, Hungary

5. Medicines Research Centre, GlaxoSmithKline, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, U.K.

6. Gfree Bio, 3805 Old Easton Road, Doylestown, Pennsylvania 18902, United States

Publisher

American Chemical Society (ACS)

Subject

Organic Chemistry,Drug Discovery,Biochemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ml500146d

Reference14 articles.

1. Improving the Plausibility of Success with Inefficient Metrics

2. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1

3. Ligand efficiency: a useful metric for lead selection

4. The maximal affinity of ligands

5. The units arise directly from the conversion of an equilibrium constant (often approximated by the IC50) into a free energy of binding using one of the fundamental laws of chemistry (ΔG= −RTlnK).

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