Current directions in the evolution of compound libraries

Current Opinion in Drug Discovery and Development

Volumn 8, Issue 3, 2005, Pages 303-308

  Webb, Thomas R ^a  

^a ChemBridge Research Laboratories Inc   (United States)

Author keywords

Chemoinformatics; Combinatorial libraries; Compound libraries; Diversity; High throughput synthesis

Indexed keywords

NATURAL PRODUCT; NEW DRUG;

CHEMICAL GENETICS; CHEMOINFORMATICS; COMBINATORIAL CHEMISTRY; COMBINATORIAL LIBRARY; COMPUTER PROGRAM; DRUG DISCOVERY; DRUG INDUSTRY; DRUG RESEARCH; DRUG SYNTHESIS; HIGH THROUGHPUT SCREENING; INFORMATION SCIENCE; PHARMACOPHORE; REVIEW; STRUCTURE ACTIVITY RELATION;

ANIMALS; CHEMISTRY, PHARMACEUTICAL; COMBINATORIAL CHEMISTRY TECHNIQUES; DRUG DESIGN; HUMANS; PEPTIDE LIBRARY; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 17844364643     PISSN: 13676733     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Review

References (38)

1. Stockwell BR: Exploring biology with small organic molecules. Nature (2004) 432(7019):846-854. Provides a detailed overview of the field of chemical biology.
2. Russell K, Michne WF: The value of chemical genetics in drug discovery. In: Chemogenomics in Drug Discovery - A Medicinal Chemistry Perspective. Kubinyi H, Müller G (Eds), Wiley-VCH Verlag GmbH, Weinheim, Germany (2004) 22:69-96. Provides an overview of this new field.
3. Müller G: Target family-directed masterkeys in chemogenomics. In: Chemogenomics in Drug Discovery - A Medicinal Chemistry Perspective. Kubinyi H, Müller G (Eds), Wiley-VCH Verlag GmbH, Weinheim, Germany (2004) 22:1-41. A chapter broadly covering many current issues in the chemistry of drug discovery.
4. Lipmski C, Hopkins A: Navigating chemical space for biology and medicine. Nature (2004) 432(7019):855-861.
5. Webb TR: The evolution of compound libraries. Curr Drug Disc (2004) 4(7):28-30.
6. Webb TR: Some principles related to chemogenomics in compound library and template design for GPCRs. In: Chemogenomics in Drug Discovery - A Medicinal Chemistry Perspective. Kubinyi H, Müller G (Eds), Wiley-VCH Verlag GmbH. Weinheim, Germany (2004) 22:313-324.
7. Ortholand J-Y, Ganesan A: Natural products and combinatorial chemistry: Back to the future. Curr Opin Chem Biol (2004) 8(3):271-280.
8. Gund P, Maliski E, Brown F: Editorial overview. Can drug discovery be industrialized? Curr Opin Drug Discovery Dev (2004) 7(3):283-284.
9. Mann J: Natural products in cancer chemotherapy: Past, present and future. Nat Rev Cancer (2002) 2(2):143-148.
10. Rouhi AM: Rediscovering natural products. Chem Eng News (2003) 81(41):77-91.
11. Clardy J, Walsh C: Lessons from natural molecules. Nature (2004) 432(7019):829-837. Demonstrates how synthetic chemists can learn from nature.
12. Eisner T: Chemical ecology: Can it survive without natural products chemistry? Proc Natl Acad Sci USA (2003) 100(Suppl 2):14517-14518.
13. Caporale LH: Chemical ecology: A view from the pharmaceutical industry. Proc Natl Acad Sci USA (1995) 92(1):75-82.
14. Nicolaou KC, Pfefferkorn JA: Solid-phase synthesis of natural products and natural product-like libraries. In: Handbook of Combinatorial Chemistry: Drugs, Catalysts, Materials, Nicolaou KC, Hanko R, Hartwig W (Eds). Wiley-VCH Verlag GmbH. Weinheim, Germany (2002) 2:613-642.
15. Koch MA, Waldmann H: Natural product-derived compound libraries and protein structure similarity as guiding principles for the discovery of drug candidates. In: Chemogenomics in Drug Discovery - A Medicinal Chemistry Perspective. Kubinyi H. Müller G (Eds). Wiley-VCH Verlag GmbH, Weinheim, Germany (2004) 22:377-403.
16. Feher M, Schmidt JM: Property distributions: Differences between drugs, natural products and molecules from combinatorial chemistry. J Chem Inf Comput Sci (2003) 43(1):218-227.
17. Schreiber SL: Target-oriented and diversity-oriented organic synthesis in drug discovery. Science (2000) 287(5460):1964-1969.
18. Austin CP, Brady LS, Insel TR, Collins FS: NIH Molecular Libraries Initiative. Science (2004) 306(5699):1138-1139. An introduction to and a clarification of the MLI, including many useful references.
19. Zerhourni E: Medicine. The NIH Roadmap. Science (2003) 302(5642):63-72.
20. Gudkov AV: Cancer drug discovery: The wisdom of imprecision. Nat Med (2004) 10(12):1298-1299.
21. Nguyen C, Teo JL, Matsuda A, Eguchi M, Chi EY, Henderson WR Jr, Kahn M: Chemogenomic identification of Ref-1/AP-1 as a therapeutic target for asthma. Proc Natl Acad Sci USA (2003) 100(3):1169-1173.
22. Khersonsky SM, Chang Y-T: Forward chemical genetics: Library scaffold design. Comb Chem High Throughput Screen (2004) 7(7):645-652.
23. Burdine L, Kodadek T: Target identification in chemical genetics: The (often) missing link. Chem Biol (2004) 11(5):593-597.
24. Chapman T: Breathing life into chemistry. Nature (2004) 430(7002):948-949.
25. Schulz WG, Braddock M: Exeter chemistry faces ax. Chem Eng News (2004) 82(49):5.
26. MacCoss M, Baillie TA: Organic chemistry in drug discovery. Science (2004) 303(5665):1810-1813. Presents insights into how pharmaceutical chemists use organic chemistry.
27. Green OV, Pickett SD: Methods for library design and optimization. Mini Rev Med Chem (2004) 4(10):1067-1076. Provides a detailed technical review of chemoinformatic methods as applied to library design for drug discovery.
28. Daylight Chemical Information Systems Inc, Mission Viejo, CA, USA. http://www.daylight.com
29. Elsevier MDL, San Leandro, CA, USA. http://www.mdl.com
30. Chemical Computing Group Inc, Quebec, Canada. http://www. chemcomp.com
31. MolSoft LLC, La Jolla, CA, USA. http://www.molsoft.com
32. Accelrys Inc, San Diego, CA, USA. http://www.accelrys.com
33. ChemAxon Ltd, Budapest, Hungary, http://www.chemaxon.com
34. Advanced Chemistry Development Inc. Ontario. Canada. http://www.acdlabs. com
35. IUPAC - International Chemical Identifier: IUPAC, Research Triangle Park, NC, USA. http://www.iupac.org/projects/2000/2000-025-1-800.html
36. Pipeline Pilot: SciTegic, San Diego, CA, USA. http://www. scitegic.com/products_services/pipeline_pilot.htm
37. MDL Afferent: Elsevier MDL, San Leandro, CA, USA. http://www. mdl.com/products/experiment/afferent/index.jsp
38. The Molecule Evoluator: Cidrux Pharmaceuticals BV, Haarlem, the Netherlands. www.cidrux.com