Conformational analysis, electronic properties and molecular electrostatic potential of nitrofurans derivatives with antibacterial activity

Journal of Molecular Structure

Volumn 748, Issue 1-3, 2005, Pages 49-55

  Monasterios, Melina ^a   Escorche, Marilu ^a   Avendaño, Milagros ^a  

^a UNIVERSIDAD CENTRAL DE VENEZUELA   (Venezuela)

Author keywords

Conformational analysis; Electronic properties; Electrostatic molecular potential

Indexed keywords

CONFORMATIONS; DERIVATIVES; ELECTRONIC PROPERTIES; MOLECULAR DYNAMICS; QUANTUM THEORY;

CONFORMATIONAL ANALYSIS; ELECTRONIC DENSITY; MOLECULAR ELECTROSTATIC POTENTIAL; NITROFURANS DERIVATIVES;

NITROGEN COMPOUNDS;

EID: 19444364335     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2005.03.019     Document Type: Article

References (27)

1. M.C. Dodd, and W.B. Stillman J. Pharmacol. Ther. 82 1944 11
2. J.B. Cornett M. Verderame Handbook of Chemotherapeutic Agents, Synthesis Antibacterial Agents vol. 2 1986 CRC Press Boca Raton, FL
3. S.M. Towson, P.F.L. Boreham, and J.A. Upcrof Acta Tropica 56 1994 173
4. H. Hoff Antimicrob. Agents Chemother. 33 1989 404
5. J.R. Pires, C. Saito, S.L. Gomes, A.M.T. Giesbrecht, and A. do Amaral J. Med. Chem. 44 2001 3673
6. P. Walzer, C. Kurtis, J. Foy, and J. Zhang Antimicrob. Agents Chemother. 35 1992 158
7. D.Y. Graham, M.S. Osato, J. Hoffman, A.R. Opekun, S.Y. Anderson, and H.M. El-Zimaity Aliment. Pharmacol. Ther. 14 2000 211
8. R. Dani, D.M. Queiroz, M.G. Dias, J.M. Franco, L.C. Magalhaes, G.S. Mendes, L.S. Moreira, L.P. De Castro, N.H. Toppa, G.A. Rocha, M.M. Cabral, and P.G. Salles Aliment. Pharmacol. Ther. 13 1999 1647
9. W.Z. Liu, S.D. Xiao, Y. Shi, S.M. Wu, D.Z. Zhang, W.W. Xu, and G.N. Tytgat Aliment. Pharmacol. Ther. 13 1999 317
10. B.H. Ali Vet. Res. Commun. 23 1999 343
11. G.G. Zhanel, D.J. Hoban, and J.A. Karlowsky Antimicrobial. Agents Chemother. 45 2001 324
12. E. Åkerblom J. Med. Chem. 17 1974 609
13. A. Gringauz Introduction to Medicinal Chemistry: How Drugs Act and Why 1997 Willey/VCH New York
14. K. Hirano, S. Yoshina, K. Okamura, and I. Susuka Bull. Chem. Soc. Jpn 40 1967 2229
15. F. Yoneda, and Y. Nitta Chem. Pharm. Bull. 12 1964 1264
16. CAChe reference, version 4.9, Fujitsu Limited CAChe, 2002.
17. A.K. Ghose, E.P. Jaeger, P.J. Kowlczyk, M.L. Peterson, and A.M. Treasurywala J. Comput. Chem. 14 1993 1407
18. A.E. Howard, and P.A. Kollman J. Med. Chem. 31 1988 1669
19. N.L. Allinger J. Am. Chem. Soc. 99 1977 8127
20. G.L. Siebel, and P.A. Kollman C. Hansch P.G. Sammes J.B. Taylor C.A. Ramdsen Comprenhensive Medicinal Chemistry, Quantitative Drug Design vol. 4 1990 Pergamon Press New York
21. M. Monasterios, M. Capobianco, and M.I. Cordero Anales Quim. Int. Ed. 94 1998 345
22. CAChe Guide to MOPAC, version 4.9, Fujitsu Limited CAChe, 2002.
23. S. Nakamura, and M. Shimizu Chem. Pharm. Bull. 21 1973 137
24. H.A. Burch J. Med. Chem. 9 1966 408
25. H.A. Burch, and W.O. Smith J. Med. Chem. 9 1966 405
26. M.A. Ghannoum, M. Thomson, C.D. Beadle, and W.R. Bowman Folia Microbiol. 33 1988 198
27. S. Nihigaki, F. Yoneda, H. Matsumoto, and K. Morinaga J. Med. Chem. 12 1969 39