Summary: references of marketed drugs by structure-based design



 Hi, CCLers!
 Last week I posted a question asking for references of marketed drugs
 whose invention were largely aided by structure-based design methods.
 Most of the replies point to the following review article:
 Larry Hardy & Antony Malikayil, The impact of structure-guided drug
 design on clinical agents, Current Drug Discovery, 2003, December,
 15-20.
 http://www.currentdrugdiscovery.com/2003/december.html
 This paper discussed ~40 compounds developed with SBDD, seven of them
 are marketed drugs.
 Here are some addtional examples: Crixivan (1,2), Viracept (3), Trusopt
 (4), Zanamivir (5,6)
 1. BD Dorsey, RB Levin, SL McDaniel, JP Vacca, JP Guare, PL Darke, JA
 Zugay, EA Emini, WA Schleif, JC. Quintero, JH Lin, I-W Chen, MK
 Holloway,
 PMD Fitzgerald, MG. Axel, D Ostovic, PS Anderson, JR Huff. L-735,524:
 The
 Design of a Potent and Orally Bioavailable HIV Protease Inhibitor. J
 Med
 Chem 37:3443-3451, 1994.
 2. Holloway, M. K. et al. In Computer-Aided Molecular Design,
 Reynolds, C. H. et al., Eds. ACS Symp. Series 589:36-50, 1995.
 3. SW Kaldor, VJ Kalish, JF Davies, II, BV Shetty, JE Fritz, K
 Appelt, JA Burgess, KM Campanale, NY Chirgadze, DK Clawson, BA
 Dressman,
 SD Hatch, DA Khalil, MB Kosa, PP Lubbehusen, MA Muesing, AK Patick, SH
 Reich, KS Su, JH Tatlock. Viracept (Nelfinavir Mesylate, AG1343): A
 Potent, Orally Bioavailable Inhibitor of HIV-1 Protease. J Med Chem
 40:3979-3985, 1997.
 4. J Greer, JW Erickson, JJ Baldwin, MD Varney. Application of the
 Three-Dimensional Structures of Protein Target Molecules in
 Structure-Based Drug Design J Med Chem 37:1035-1054; 1994.
 5. von Itzstein, M.; Wu, W. Y.; Kok, G. B.; Pegg, M. S.; Dyason, J. C.;
 Jin,
 B.; Van Phan, T.; Smythe, M.; White, H. F.; Oliver, S. W.; Colman, P.
 M.;
 Varghese, J. N.; Ryan, D. M.; Woods, J. M.; Bethell, R. C.; Hotham, V.
 J.;
 Cameron, J. M.; Penn, C. R. Rational Design of Potent Sialidase-based
 Inhibitors of Influenza Virus Replication. Nature, 363, 418-423 (1993).
 6. M. von Itzstein, Jeffrey C. Dyason, Stuart W. Oliver, Hume F. White,
 Wen-Yang Wu, Gaik B. Kok and Michael S. Pegg, A Study of the Active
 Site
 of Influenza Sialidase: An Approach to the Rational Design of Novel
 Anti-Influenza Drugs. J. Med. Chem., 39, 388-391, (1995).
 Again, thanks for all of the responses!
 With best regards,
 Renxiao
 --------------------------------------------------------------------------------------------------
 Renxiao Wang, Ph.D.
 Research Investigator
 Department of Internal Medicine, Hematology/Oncology Division
 University of Michigan Medical School
 Ann Arbor, MI 48109, U.S.A.
 Tel: (734) 764-2449; Fax: (734) 764-2532
 E-mail: renxiao_at_med.umich.edu
 Web: http://sw8.im.med.umich.edu/~arthur/
 --------------------------------------------------------------------------------------------------