A 'Rule of Three' for fragment-based lead discovery?

Drug Discovery Today

Volumn 8, Issue 19, 2003, Pages 876-877

  Congreve, Miles ^a   Carr, Robin ^a   Murray, Chris ^a   Jhoti, Harren ^a  

^a ASTEX PHARMACEUTICALS   (United Kingdom)

Author keywords

Drug Discovery; Fragment libraries; Pharmaceutical Science; Polar surface area; Rotatable bonds; Rule of Five; Techniques Methods

Indexed keywords

LEAD;

ABSORPTION; BINDING AFFINITY; COMPARATIVE STUDY; DRUG BIOAVAILABILITY; DRUG SCREENING; ELECTRON; HYDROGEN BOND; MOLECULAR DYNAMICS; NOTE; PARAMETER; PHYSICAL CHEMISTRY; PROTEIN BINDING; PROTEIN INTERACTION; SURFACE PROPERTY; X RAY CRYSTALLOGRAPHY;

ADMINISTRATION, ORAL; BIOLOGICAL AVAILABILITY; CRYSTALLOGRAPHY, X-RAY; DATABASES, FACTUAL; DRUG DESIGN; LIGANDS; PHARMACEUTICAL PREPARATIONS;

EID: 0141726877     PISSN: 13596446     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1359-6446(03)02831-9     Document Type: Note

References (10)

1. 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.
2. Oprea T.I. Is there a difference between leads and drugs? A historical perspective. J. Chem. Inf. Comput. Sci. 41:2001;1308-1315.
3. Owens J. Chris Lipinski discusses life and chemistry after the Rule of Five. Drug Discov. Today. 8:2003;12-16.
4. Lipinski C.A., et al. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Delivery Rev. 46:2001;3-26.
5. Veber D.F., et al. Molecular Properties That Influence the Oral Bioavailability of Drug Candidates. J. Med. Chem. 45:2002;2615-2623.
6. Clark D.E., Picket S.D. Computational methods for the prediction of drug-likeness. Drug Discov. Today. 5:2000;49-58.
7. Teague S.J., et al. The design of leadlike combinatorial libraries. Angwe. Chemie Int. Ed. 38:1999;3743-3748.
8. Carr R., Jhoti H. Structure-based screening of low-affinity compounds. Drug Discov. Today. 7:2002;522-527.
9. Erlanson D.A., et al. Site-directed ligand discovery. Proc. Natl. Acad. Sci. U. S. A. 97:2000;9367-9372.
10. Vetter D. Chemical microarrays, fragment diversity, label-free imaging by plasmon resonance-a chemical genomics approach. J. Cell. Biochem. 39:2002;79-84.