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Tytuł artykułu

QSARs of some novel isosteric heterocyclics with antifungal activity

Warianty tytułu

Języki publikacji

EN

Abstrakty

EN
QSAR analysis of a set of previously synthesized 2,5,6-trisubstituted benzoxazole, benzimidazole and 2-substituted oxazolo(4,5-b)pyridine derivatives tested for growth inhibitory activity against Candida albicans, was performed by using the computer-assisted multiple regression procedure. The activity contributions for either heterocyclic ring systems or substituent effects of these compounds were determined from the correlation equation and the predictions for the lead optimization were described. The resulting QSAR revealed that the oxazolo(4,5-b)pyridine ring system with the substitution of a benzyl moiety at position 2 was the most favourable structure among the heterocyclic nuclei. Moreover, the fifth position in the fused ring system is found more significant than the other positions in improving the activity.

Wydawca

-

Rocznik

Tom

47

Numer

2

Opis fizyczny

p.481-486,fig.

Twórcy

autor
  • Ankara University, TR-06100 Tandogan Ankara, Turkey
autor
autor
autor

Bibliografia

  • 1. Hansch, C. & Fujita, T. (1964) J. Am. Chem. 86, 1616.
  • 2. Hansch, C. & Fujita, T. (1969) Acc. Chem. Rev. 2, 232.
  • 3. Hansch, C. & Leo, A. (1979) Substituent Constant for Correlation Analysis in Chemistry and Biology. John Wiley & Sons, New York.
  • 4. Meyers, F.H., Jawetz, E. & Goldfien, A. (1976) Review of Medical Pharmacology. Lange Medical Pub., California.
  • 5. Mrozek, A., Trzezwinska, H., Karolak-Wojciechowska, J., Yalcin, I. & Tener, E. (1999) Polish J. Chem. 73, 625-633.
  • 6. Oren, I. (1995) The synthesis, structure elucidation and quantitative structure-activity relationship analysis ofsome novel antimicrobial active isosteric heterocyclic compounds. Ph.D. Thesis, University of Ankara.
  • 7. Oren, I., Temiz, O., Yalcin, I., Sener, A. & Altanlar, N. (1998) Eur. J. Pharm. Sci. 7, 153-160.
  • 8. Wold, S. (1991) Quant. Struct.-Act. Relat. 10, 191.
  • 9. Yalcin, I., Oren, I., Sener, E., Akin, A. & Ucartuerk, N. (1992) Eur. J. Med. Chem. 27, 401-406. 10. Yalcin, I., Sener, E., Ozden, T., Ozden, S. & Akin, A. (1990) Eur. J. Med Chem. 25, 705-708.

Typ dokumentu

Bibliografia

Identyfikatory

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