Ligand efficiency: A useful metric for lead selection

Drug Discovery Today

Volumn 9, Issue 10, 2004, Pages 430-431

  Hopkins, Andrew L ^a   Groom, Colin R ^a,b   Alex, Alexander ^a  

^a PFIZER GLOBAL RESEARCH AND DEVELOPMENT   (United Kingdom)

^b UCB PHARMA   (Belgium)

Author keywords

Drug Discovery; Drugs; Lead optimization; Ligands; Pharmaceutical Science; Potency; Techniques Methods

Indexed keywords

FUNCTIONAL GROUP; LEAD;

BINDING AFFINITY; CALCULATION; CORRELATION ANALYSIS; DISSOCIATION; DRUG BINDING; DRUG BIOAVAILABILITY; DRUG INDUSTRY; DRUG POTENCY; IC 50; LIGAND BINDING; MATHEMATICAL ANALYSIS; MOLECULAR WEIGHT; SHORT SURVEY;

EID: 1942453243     PISSN: 13596446     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1359-6446(04)03069-7     Document Type: Note

References (11)

1. Sneader W. Drug Prototypes and their Exploitation. 1996;John Wiley & Sons.
2. Hann M., et al. Molecular complexity and its impact on the probability of finding leads for drug discovery. J. Chem. Inf. Comput. Sci. 41:2001;856-864.
3. Teague S., et al. The design of leadlike combinatorial libraries. Angew Chem. Int. Ed. Engl. 24:1999;3743-3748.
4. Oprea T., et al. Is there a difference between leads and drugs? J. Chem. Inf. Comput. Sci. 41:2001;1308-1315.
5. Lipinski C. Drug-like properties and the causes of poor solubility and poor permeability. J. Pharmacol. Toxicol. Methods. 44:2000;235-249.
6. Lipinski C., et al. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Del. Revs. 23:1997;3-25.
7. Wenlock M.C., et al. A comparison of physiochemical property profiles of development and marketed oral drugs. J. Med. Chem. 46:2003;1250-1256.
8. Blake J.F. Examination of the computed molecular properties of compounds selected for clinical development. BioTechniques. 34:2003;S16-S20.
9. Lahana R. How many leads from HTS? Drug Disc. Today. 4:1999;447-448.
10. Andrews P., et al. Functional group contributions to drug-receptor interactions. J. Med. Chem. 27:1984;1648-1657.
11. Kuntz I., et al. The maximal affinity of ligands. Proc. Natl. Acad. Sci. U. S. A. 96:1999;9997-10002.