Calorimetry and structure-activity relationships for a series of antimicrobial hydrazides

Thermochimica Acta

Volumn 417, Issue 2, 2004, Pages 283-294

  Montanari, M L C ^a   Andricopulo, A D ^b   Montanari, C A ^c  

^a FEDERAL UNIVERSITY OF SÃO CARLOS   (Brazil)

^b UNIVERSITY OF SÃO PAULO   (Brazil)

^c FEDERAL UNIVERSITY OF MINAS GERAIS   (Brazil)

Author keywords

Biological calorimetry; QSAR; QSPR; Taylor Aris partitioning

Indexed keywords

ANTIINFECTIVE AGENT; HYDRAZIDE DERIVATIVE;

ACCURACY; ANALYTIC METHOD; ARTICLE; BACTERIAL CELL; BACTERIUM CULTURE; CALORIMETRY; CELL METABOLISM; CHEMICAL STRUCTURE; CONTROLLED STUDY; CORRELATION ANALYSIS; DIFFUSION; DRUG ACTIVITY; DRUG CONFORMATION; DRUG DETERMINATION; DRUG POTENCY; DRUG STRUCTURE; ESCHERICHIA COLI; FUNGAL CELL; FUNGUS CULTURE; HYDROPHILICITY; LIPOPHILICITY; MEASUREMENT; MODEL; MOLECULAR INTERACTION; MULTIVARIATE ANALYSIS; NONHUMAN; PREDICTION; QUANTITATIVE ANALYSIS; SACCHAROMYCES CEREVISIAE; STATISTICAL ANALYSIS; STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS;

EID: 3543032186     PISSN: 00406031     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tca.2003.07.024     Document Type: Article

References (45)

1. Erhardt P.W. Pure Appl. Chem. 74:2002;703-785
2. Thompson K.C. Thermochim. Acta. 355:2000;83-87
3. Vyazovkin S. Anal. Chem. 74:2002;2749-2762
4. Morgan T.D., Beezer A.E., Mitchell J.C., Bunch A.W. J. Appl. Microbiol. 90:2001;53-58
5. Gaisford S., Buckton G. Thermochim. Acta. 380:2001;185-198
6. Beezer A.E., Mitchell J.C., Colegate R.M., Scally D.J., Twyman L.J., Willson R.J. Thermochim. Acta. 250:1995;277-283
7. Beezer A.E. Thermochim. Acta. 349:2000;1-7
8. Gittins P.J., Twyman L.J. Supramol. Chem. 15:2003;5-23
9. Montanari M.L.C., Beezer A.E., Montanari C.A. Thermochim. Acta. 328:1999;91-97
10. Montanari M.L.C., Beezer A.E., Montanari C.A., Pilo-Veloso D. J. Med. Chem. 43:2000;3448-3452
11. Montanari M.L.C., Gaudio A.C., Montanari C.A. Quim. Nova. 25:2002;231-240
12. Nakatani K., Sando S., Kumasawa H., Kikuchi J., Saito I. J. Am. Chem. Soc. 123:2001;12650-12657
13. Nakatani K., Hagihara S., Sando S., Sakamoto S., Yamaguchi K., Maesawa C., Saito I. J. Am. Chem. Soc. 125:2003;662-666
14. Read M.A., Wood A.A., Harrison J.R., Gowan S.M., Kelland L.R., Dosanjh H.S., Neidle S. J. Med. Chem. 42:1999;4538-4546
15. Frisch C., Schreiber G., Johnson C.M., Fersht A.R. J. Mol. Biol. 267:1997;696-706
16. Filfil R., Chalikian T.V. J. Mol. Biol. 326:2003;1271-1288
17. Folkers G., Prota A., Merz A. Farmaco. 50:1995;449-454
18. Raffa R.B., Spencer S.D., Schulingkamp R.J. Biochem. Pharmacol. 63:2002;1937-1939
19. Liang T., Wang C.X., Zou G.L., Wang Z.Y., Liu Y.W., Ou S.S. Thermochim. Acta. 351:2000;21-27
20. Raevsky O.A. Uspekhi Khimii. 68:1999;555-576
21. Montanari M.L.C., Montanari C.A., Pilo-Veloso D., Beezer A.E., Mitchell J.C., Volpe P.L.O. Quant. Struct.-Act. Rel. 17:1998;102-108
22. M.L.C. Montanari, A.E. Beezer, C.A. Montanari, QSAR based on biological microcalorimetry. computational approaches to SAR and lipophilicity, in: B. Testa, H. van de Waterbeemd, G. Folkers, R. Guy, (Eds.), Pharmacokinetic Optimization in Drug Research: Biological, Physicochemical, and Computational Strategies, Wiley-VCH, Zurich, 2001, CD-ROM Lecture 2.
23. ALMOND version 3.2.0 Molecular Discovery Ltd., London, United Kingdom, 2003.
24. Pastor M., Cruciani G., McLay M., Pickett S., Clementi S. J. Med. Chem. 43:2000;3332-3343
25. Buolamwini J.K., Assefa H. J. Med. Chem. 45:2002;841-852
26. Wade R.C., Goodford P.J. J. Med. Chem. 36:1993;148-156
27. GRID version 20 Molecular Discovery Ltd., London, United Kingdom, 2002.
28. Wold S., Esbensen K., Geladi P. Chemom. Intell. Lab. Syst. 2:1987;37-52
29. Martens H., Naes T. Trend Anal. Chem. 3:1984;204-210
30. Martens H., Naes T. Trend Anal. Chem. 3:1984;266-271
31. S. Wold, Partial least squares, in: S. Kotz, N.L. Johnson (Eds.), Encyclopedia of Statistical Sciences, vol. 6, Wiley, New York, 1985, pp. 581-591.
32. N. Selitn, J.P. Keeves, Path analysis with latent variables, in: T. Husen, T.N. Postlethwaite (Eds.), International Encyclopedia of Education, 2nd ed., Elsevier, London, 1994, pp. 4352-4359.
33. Cruciani G., Crivori P., Carrupt P.-A., Testa B. J. Mol. Struct. Theochem. 503:2000;17-30
34. Cruciani G., Pastor M., Mannhold R. J. Med. Chem. 45:2002;2685-2694
35. Cruciani G., Pastor M., Guba W. Eur. J. Pharm. Sci. 11:2000;S29-S39
36. Goodford P.J. J. Med. Chem. 28:1985;849-857
37. Boobbyer D.N.A., Goodford P.J., McWhinnie P.M., Wade R.C. J. Med. Chem. 32:1989;1083-1094
38. Wade R.C., Clark K.J., Goodford P.J. J. Med. Chem. 36:1993;140-147
39. C. Cruciani, S. Clementi, P. Crivori, P.-A. Carrupt, B. Testa, VolSurf and its application in structure-disposition relationships, in: B. Testa, H. van de Waterbeemd, G. Folkers, R. Guy (Eds.), Pharmacokinetic Optimization in Drug Research: Biological, Physicochemical, and Computational Strategies, Wiley-VCH, Zurich, 2001, pp. 539-550.
40. Oprea T.I., Zamora I., Ungell A.-L. J. Comb. Chem. 4:2002;258-266
41. C. Hansch, A. Leo, Exploring QSAR: Fundamentals and Applications in Chemistry and Biology, ACS, Washington, 1995.
42. Pastor M., McLay I., Pickett S., Clementi C. S. J. Med. Chem. 43:2000;3233-3243
43. Sybyl, Version 6.5, Tripos, Inc. 1998.
44. G. Folkers, A. Merz, D. Rognan, CoMFA: Scope and limitations, in: H. Kubinyi (Ed.), 3D QSAR in Drug Design, Kluwer/Escom, London, 1998, pp. 583-618.
45. Braun A., Hammerle S., Suda K., Rothen-Rutishauser B., Gunthert M., Kramer S.D., Wunderli-Allenspach H. Eur. J. Pharm. Sci. 11:2000;S51-S60