Drug design/discovery chemistry

Figure 6 The iterative drug discovery process integrating structural biology, drug design, synthetic chemistry, biological testing, and additional input from other related research areas.

Department of Chemistry, Center for Molecular Diversity in Drug Design, Discovery and Delivery, University of South Florida, Tampa, FL 33620, USA e-mail bjbaker usf.edu... 

Department of Chemistry and Center for Drug Design, Discovery and Delivery in Dedman College, Southern Methodist University, Dallas,... 

Nowadays a broad range of methods is available in the field of chemoinfor-matics. These methods will have a growing impact on drug design. In particular, the discovery of new lead structures and their optimization will profit by virtual saeening [17, 66, 100-103]. The huge amounts of data produced by HTS and combinatorial chemistry enforce the use of database and data mining techniques. 

Marshall G R 1955. Molecular Modeling in Drug Design. In Wolff M E (Editor) Burger s Medicinal Chemistry and Drug Discovery. 5th Edition, Volume 1. New York, John Wiley Sons, pp. 573-659. 

Dyason JC, Wilson JC, Von Itzstein M. Sialidases Targets for rational drug design. In Bultinck P, De Winter H, Langenaeker W, Tollenaere JP, editors. Computational medicinal chemistry for drug discovery. New York Dekker, 2004. 

Murray CW, Clark DE, Auton TR, Firth MA, Li J, Sykes RA, Waszkowycz B, Westhead DR, Young SC. PRO SELECT combining structure-based drug design and combinatorial chemistry for rapid lead discovery. J Comput Aided Mol Des 1997 11 193-207. 

Salemme FR, Spurlino J, Bone R. Serendipity meets precision the integration of structure-based drug design and combinatorial chemistry for efficient drug discovery. Structure 1997 5 319-324. 

Liebeschuetz, J.W., Jones, S.D., Morgan, P.J., Murray, C.W., and Rimmer, A.D. PROSELECT combining stmcture-based drug design and array-based chemistry for rapid lead discovery. 2. The development of a series of highly potent and selective factor Xa inhibitors. /. Med. Chem. 2002, 45, 1221-1232. 

Abraham, D.J. (Ed.). History of quantitative structure activity relationships. In Burger s Medicinal Chemistry and Drug Discovery, Volume 3. John Wiley Sons, Hoboken, NJ, 2003, 1-48. Chapters by Selassie, C.D. Tropsha, a. Recent trends in quantitative stmcture-activity relationships, 49-76 Marshall, G.R. Beusen, D.D. Molecular modeling in drug design, 77-168 ... 

---