Conformational analysis of the antimalarial agent quinidine

Bioorganic and Medicinal Chemistry

Volumn 5, Issue 2, 1997, Pages 353-361

  Silva, Thais H A ^a   Oliveira, Alaíde B ^a   De Almeida, Wagner B ^a  

^a FEDERAL UNIVERSITY OF MINAS GERAIS   (Brazil)

Author keywords

Antimalarial; Conformational analysis; Quinidine

Indexed keywords

ANTIMALARIAL AGENT; QUINIDINE;

ARTICLE; DRUG STRUCTURE; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM CHEMISTRY; STEREOCHEMISTRY; THEORY;

ANTIMALARIALS; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR CONFORMATION; QUINIDINE;

CINCHONA;

EID: 0031081361     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0968-0896(96)00254-4     Document Type: Article

References (22)

1. 1. Korolkovas, A. Essȩntials of Medicinal Chemistry; Wiley-Interscience: New York, 1988.
2. 2. Dijkstra, G. D. H.; Kellogg, R. M.; Wynberg, H. J. Org. Chem. 1990, 55, 6121.
3. 3. Karle, J. M; Karle, I. L.; Gerena, L.; Milhous, W. K. Antimicrobial Ag. Chemother. 1992, 36, 1538.
4. 4. Karle, J. M.; Olmeda, R.; Gerena, L. ; Milhous, W. K. Exp. Parasitol. 1993, 76, 345.
5. 5. Prelog, U.; Wilhelm, M. Helv. Chim. Acta 1954, 37, 1634.
6. 6. Prakash, O.; Roy, R.; Singh, I.; Pratap, R.; Popli, S. P.; Bhakuni, D. S. Indian J. Chem. 1988, 27B, 950.
7. 7. Dijkstra, G. D. H.; Kellogg, R. M.; Wynberg, H. Recuel Travaux Pays-Bas 1989, 108, 195.
8. 8. Dijkstra, G. D. H.; Kellogg, R. M.; Wynberg, H.; Svendsen, I. M.; Sharpless, K. B. J. Am. Chem. Soc. 1989, 111, 8069.
9. 9. Oleksyn, B. J.; Suszko-Purzycka, A.; Dive, G.; Lamotte-Brasseur, J. J. Pharm. Sci. 1992, 81, 122.
10. 10. Doherty, R.; Benson, W. R.; Maienthal, M.; Stewart, J. M. J. Pharm. Sci. 1978, 67, 1698.
11. 11. Kashino, S.; Haisa, M. Acta Cryst. 1983, C39, 310.
12. 12. Karle, J.; Karle, J. Proc. Natl. Acad. Sci. U.S.A. 1981, 78, 5938.
13. 13. PCMODEL 1993 Serena Software - First edition. The force field used in PCMODEL is called MMX and is derived from MM2 (QCPE-395,1977) force field of N. L. Allinger, with the pi-VESCF routines taken from MMP1 (QPCE-318), also by N. L. Allinger.
14. 14. (a) AM1: Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P. J. Am. Chem. Soc. 1985, 107, 3902.
15. (b) PM3: Stewart, J. J. P. J. Comput. Chem. 1989, 10, 209.
16. 15. Silva, T. H. A.; Oliveira, A. B.; De Almeida, W. B. Struct. Chem. 1996, in press.
17. 16. Dos Santos, H. F.; Taylor-Gomes, J.; Booth, B. L.; De Almeida, W. B. Vibrat. Spectrosc. 1995, 10, 13.
18. 17. De Almeida, W. B.; Dos Santos, H. F.; O'Malley, P. J. Struct. Chem. 1995, 6, 383.
19. 18. Do Val, A. M. G.; Guimarães, A. C.; De Almeida, W. B. J. Heterocycl. Chem. 1995, 32, 557.
20. 19. Rocha, W. R.; De Almeida, W. B. J. Comput. Chem. 1996, in press.
21. 20. Mezey. P. G. Studies in Physical and Theoretical Chemistry: Potential Energy Hypersurfaces; Elsevier: Amsterdan, Vol. 53, 1987.
22. 21. MOPAC version 6.0, J. J. P. Stewart, Frank J. Seiler Research Laboratory, US Air Force Academy, Colorado Springs, CO, 1990.