3D-QSAR, synthesis, and antimicrobial activity of 1-alkylpyridinium compounds as potential agents to improve food safety

European Journal of Medicinal Chemistry

Volumn 40, Issue 9, 2005, Pages 840-849

  Rodríguez Morales, Sergio ^a,c   Compadre, R Lilia ^b   Castillo, Rafael ^a   Breen, Philip J ^b   Compadre, Cesar M ^b  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^b UNIVERSITY OF ARKANSAS FOR MEDICAL SCIENCES   (United States)

^c Lab 122   (Mexico)

Author keywords

3D QSAR; Alkylpyridinium analogues; Cetylpyridinium chloride; CoMFA analysis; MIC activity

Indexed keywords

1 ALKYLPYRIDINIUM; FAT; PYRIDINIUM DERIVATIVE; UNCLASSIFIED DRUG;

ANTIMICROBIAL ACTIVITY; ARTICLE; BACTERIUM CONTAMINATION; FOOD SAFETY; GRAM NEGATIVE BACTERIUM; GRAM POSITIVE BACTERIUM; LIPOPHILICITY; MINIMUM INHIBITORY CONCENTRATION; NONHUMAN; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ANTI-BACTERIAL AGENTS; DRUG DESIGN; ESCHERICHIA COLI; FOOD MICROBIOLOGY; FOOD PRESERVATIVES; MICROBIAL SENSITIVITY TESTS; MODELS, MOLECULAR; PYRIDINIUM COMPOUNDS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SALMONELLA TYPHIMURIUM; SOFTWARE;

EID: 25444473129     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2005.02.012     Document Type: Article

References (25)

1. Report of Economical research services, U. S. Agricultural Department, web site. Available from: http://www.econ.ag.gov/briefing/foodsafe.
2. M. McCoy Chem. Eng. News 6 1998 21 41
3. P.J. Breen, C.M. Compadre, E.K. Fifer, H. Salari, D.C. Serbus, and D.L. Lattin J. Food Sci. 6 1995 1191 1196
4. P.J. Breen, H. Salari, and C.M. Compadre J. Food Pro. 60 1997 1019 1021
5. H. Kourai, K. Tatechi, T. Horie, K. Takeichi, and I. Shibasaki J. Antibact. Antifung. Agents 13 1983 245 253
6. J. Lin, S. Qiu, K. Lewis, and A.M. Klibanov Biotechnol. Prog. 18 2002 1082 1086
7. J.C. Tiller, S.B. Lee, K. Lewis, and A.M. Klibanov Biotechnol. Bioeng. 79 2002 465 471
8. J.C. Tiller, C.J. Liao, K. Lewis, and A.M. Klibanov Proc. Natl. Acad. Sci. USA 98 2001 5981 5985
9. H. Kourai, T. Horie, K. Takeichi, and I. Shibasaki Bokin Bobai 8 1980 191 199
10. H. Kourai, F. Machicawa, K. Tateishi, T. Horie, K. Takeichi, and I. Shibasaki J. Antibact. Antifung. Agents 11 1983 553 562
11. Q. Zhu, Z. Guo, N. Huang, and F. Chu J. Med. Chem. 40 1997 4319 4328
12. Y.B. Li, M.F. Slavik, J.T. Walker, and H. Xiong J. Food Sci. 62 1997 605 607
13. R.S. Shelton, C.H. Van Campen, and L. Lang J. Am. Chem. Soc. 68 1946 753 75911
14. T.I. Oprea, and C. Waller Rewievs in Computational Chemistry Boyd and LipKowitz 1997 VCH. Pub Vol XI
15. G. Greco, E. Novellino, and Y.C. Martín Rewievs in Computational Chemistry Boyd and LipKowitz 1997 VCH. Pub Vol XI
16. Y.M. Martin, K.H. Kim, and T.C. Lin Advances in Quantitative Structure Property Relathionships, Charton 1996 JAI Press Greenwich, CT Vol. 1 Chapter 1
17. U. Thibaut, G. Folkers, G. Klebe, H. Kubinyi, A. Merz, and D. Rognan H. Kubinyi 3D-Qsar in Drug Design: Theory Methods and Applications 1993 Kluwer Academic Publishers Vol 1
18. G. Folkers, A. Merz, and D. Rognan H. Kubinyi 3D-Qsar in Drug Design: Theory Methods and Applications 1993 Kluwer Academic Publishers Vol 1
19. T. Maeda, S. Goto, Y. Manabe, K. Okazaki, H. Nagamune, and H. Kourai Biocontrol Sci. 1 1996 41 49
20. H. Kourai, Y. Hasegawa, and K. Wada J. Antibact. Antifung. Agents 22 1994 653 661
21. F. Devinsky, I. Lacko, E. Nlynarcik, E. Svajdleka, and V. Borovska Pharmazie 51 1996 727 731
22. L.H. Bluhm, and T. Li Tetrahedron Lett. 39 1998 3623 3626
23. C. Hansch, and A. Leo Exploring QSAR: Fundamentals and Applications in Chemistry and Biology 1995 ACS Pub
24. A. Waitz NCCLS, 10 1990 M7-A2
25. J.E. Lien, C. Hansch, and M.S. Anderson J. Med. Chem. 11 1968 430 441