Subject: Summary: Example of Success in CADD ?

From: Somsak Tonmunphean <[email-masked]>
Date: Wed, 3 May 2000 10:27:17 +0700 (ICT)

Dear All,
	I got a lot of reply. Thank you very much to the following persons.

Dr. Donald B. Boyd <[email-masked]>
Dr. Fred Ooms <[email-masked]>
Dr. Teerakiat Kerdcharoen <[email-masked]>
Dr. Jeff Nauss <[email-masked]>
Dr. Shahar Keinan <[email-masked]>
Dr. Shaomeng Wang <[email-masked]>
Dr. Daniel Severance <[email-masked]>
Dr. Erik Evensen <[email-masked]>
Dr. Barbara Murray <[email-masked]>
Dr. Mr Donkey <[email-masked]>

And here are the summary for all answers.

*********
* DRUGS *
*********

1. NOROXIN, antibacterial agent
   - Kyorin Pharmaceutical, Koga, H. et al. J. Med. Chem. 1980, 23, 
     1358-1363

2. COZAAR for Hypertension treatment
   - DuPont, Merck, Duncia, J. V. et al. J. Med. Chem. 1990, 33, 1312-1329
   - Duncia, J. V. et al. Med. Res. Rev. 1992, 12, 149-191.

3. ARICEPT for Alzheimers disease
   - Eisai, Kawakami, Y. et al. Bioorg. Med. Chem. 1996, 4, 1429-1446.

4. TRUSOPT for Glaucoma treatment
   - Merck, Greer, J. et al. J. Med. Chem. 1994, 37, 1035-1054
   - J. Med. Chem. 1989, 32, 2510.

5. TEVETEN for Hypertension 
   - Smithkline Beecham, Weinstock, J. et al. J. Med. Chem. 1991, 34,
     1514-1517.
   - Keenan, R. M. J. Med. Chem. 1993, 36, 1880-1892.

6. ZOMIG for Migraine treatment 
   - Wellcome, Zeneca , Glen, R. C. et al., J. Med. Chem. 1995, 38,
     3566-3580.

7. VIAGRA for AIDS
   - Pfizer, Terrett, N. K. et al., Bioorg. Med. Chem. Lett. 1996, 6,
     1819-1824.

8. CRIXIVAN for AIDS 
   - Merck, Dorsey, B. D. et al., J. Med. Chem. 1994, 37, 3443-3451
   - Holloway, M. K. et al. In Computer-Aided Molecular Design, Reynolds,
     C. H. et al., Eds. ACS Symp. Series 589, 1995, 36-50.

9. VIRACEPT for AIDS 
   - Lilly and Agouron, Kaldor, S.W. et al., J. Med. Chem. 1997, 40,
     3979-3985.
   - http://www.agouron.com/Pages/annual_reports/97AR_2.html

10. CAPTOPRIL 
    - Hangauer, D. G. 1989. Computer-Aided Design and Evaluation of
      Angiotensin Converting Enzyme Inhibitors. In Computer-Aided Drug
      Design, ed. T. J. Perun, C. L. Propst. New York
    - Marcel Dekker and Kubinyi, H. 1999. Chance favors the prepared mind-
      from serendipity to rational drug design. J. Recept. Signal
      Transduct. Res. 19, 15-39.

***********
* ARTICLE *
***********

- Progress in Rational Design of Therapeutically Interesting Compounds.  
  D. B. Boyd, in Rational Molecular Design in Drug Research, Proceedings
  of the Alfred Benzon Symposium No. 42, T. Liljefors, F. S. J¿rgensen,
  and P. Krogsgaard-Larsen, Eds., Munksgaard, Copenhagen, 1998, pp. 15-23.

- Rational Drug Design: Controlling the Size of the Haystack.  D. B. Boyd,
  Modern Drug Discovery, November/December, 1998, pp. 41-48.  

- Wang, S. et al, J. Med. Chem. 2000, 43, 351-360.

- Qiao, L. Wang, S. et al. JACS, 1998, 120, 6629-6630.    

- "Molecular modeling and computer aided drug design", in CURRENT MEDICAL
  CHEMISTRY. FEB 2000; 7(2): 141-158.  

- Trapkov V.A., Boudunova A.P., Burova O.A., Filimonov D.A., Poroikov V.V.
  "Discovery of New Antiulcer Agents by Computer Aided Prediction of
  Biological Activity", Problems in Medical Chemistry (Moscow), 1997
  v. 43., No. 1, p.41-57. or at
  http://www.ibmh.msk.su/PASS/Abstract/art002.htm

- Keinan, S. and Avnir, D., "Quantitative Chirality in Structure-Activity
  Correlations. Shape Recognition by Trypsin, by the D2 Dopamine Receptor
  and by Cholinesterases", J. Am. Chem. Soc. (1998) 120 6152-6159.

- Keinan, S. and Avnir, D., "Quantitative Symmetry in Structure Activity
  Correlations. The Near C2 Symmetry of Inhibitor/HIV Protease complexes",
  J. Am. Chem. Soc. (2000) accepted.

*******
* WEB *
*******

- http://www.BioCryst.com/AboutBiocryst.htm

- http://www.pdl.com/PDLProducts/pdlproducts.html

- http://www.vpharm.com/NonEnhanced/Pressreleases99/pr93099.html

- http://www.as.dmu.ac.uk/pharmscape/tour_1.htm

Your sincerely,
Somsak Tonmunphean.

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