Journal of the Korean Chemical Society (대한화학회지)

Korean Chemical Society (대한화학회)
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Structure-Activity Relationship. A Theoretical Study of Catechol Derivatives as 5-Lipoxygenase Inhibitor

구조-활성 상관관계. 5-Lipoxygenase의 저해제인 Catechol류에 관한 이론적 연구

  • Park, Seongsik (Department of Chemistry, Kyungsung University) ;
  • Kim, Sang-Yun (Department of Chemistry, Kyungsung University) ;
  • Chung, Duk-Young (Department of Chemistry Education, Kyungpook National University) ;
  • Yoh, Soo-Dong (Department of Chemistry Education, Kyungpook National University)
  • 박성식 (경성대학교 이과대학 화학과) ;
  • 김상윤 (경성대학교 이과대학 화학과) ;
  • 정덕영 (경북대학교 화학교육과) ;
  • 여수동 (경북대학교 화학교육과)
  • Published : 19950900
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Abstract

Various catechol derivatives inhibiting 5-lipoxygenase were studied with theoretical calculations and QSAR study. It was hypothesized that receptor site model could accept the active site of the catechol derivatives. The molecular length, molecular surface area, C5 net charge, HOMO/LUMO energy, van der Waals surface area and volume were used as variables to find the relationships between activity and physicochemical parameters.

5-Lipoxyhenase의 저해제인 catechol류에 대한 구조-활성관계를 검토하였다. Catechol 유사체의 활성자리와 수용체가 작용하는 약물-수용체 상호작용 모델을 설정하여 가하학적, 전기적 파라미터를 구하여 생리활성과의 상관관계를 분석, 다중회귀분석을 실시하였다.

Keywords

References

  1. Medicinal chemistry Nogrady, T.
  2. Int. Rev. Biochem. v.20 Gorman, R. R.
  3. Annu. Rep. Med. Chem. v.21 Gleason, J. G.;Perchonock, C. D.;Torphym T. J.
  4. Advances in Prostaglandin and Thromboxane Research v.18 Samuelsson, B.;Ramwell, P. W.
  5. Annu. Rep. Med. Chem. v.19 Kreutner, W.;Siegel, M. I.
  6. Chem. Pharm. Bull. v.39 Naito, Y.;Sugiura, M.;Yamaura, Y.;Fukaya, C.;Yokoyama, K.;Nakagawa, Y.
  7. J. Pharm. Sci. v.77 Okamoto, H.
  8. Principle of Medicinal Chemistry Foye, W. O.
  9. J. Med. Chem. v.23 Galabov, A. S.;Galabov, B. S.;Nsykova, N. A.
  10. J. Med. Chem. v.26 Van de Waterbeem, H.;Testa, B.
  11. J. Med. Chem. v.27 Froomowitz, M.
  12. J. Med. Chem. v.27 Kunstmann, R.;Fischer, G.
  13. J. Med. Chem. v.29 Fromoiwitz, M.;Neumeyer, J. L.;Baldessarini, R. J.
  14. J. Am. Chem. Soc. v.107 Naruto, S.
  15. Tetrahedron v.31 Allinger, N. L.;Sparague, J. T.
  16. J. Mol. Biol. v.59 Winkler, F. K.;Dunitz, J. D.
  17. Pharm. Res. Cashman, J. R.
  18. J. Am. Chem. Soc. v.111 Goto, H.;Osawa, E.
  19. Quant. Chem. Prog. Exch. Program No. 395; Program MMPMI, Serena software Bloomington, IN 47402-3076 Allinger, N. L.;Yuh, Y. H.
  20. Plant Physiol v.26 Hansch, C.;Muir, R. M.;Metzenberg Jr. R. L.
  21. J. Phys. Chem. Ref. Data v.13 Pearlman, R. S.;Yalkowsky, S. H.;Banerjee, S.
  22. Physiol. Plant v.7 Collander, R.
  23. Chem. Soc. Perkin Trans. v.Ⅱ Ramos, M. N.;Pereira, S. R.
  24. Quantum Chem. Prog. Exch. Bull. v.1 Pearlman, R. S.
  25. Physical Chemical properties of Drugs Pearlman, R. S.
  26. J. Med. Chem. v.16 Hansch, C.;Muir, R. M.