Journal of the Korean Chemical Society (대한화학회지)

Korean Chemical Society (대한화학회)
권호 표지

Application of Molecular Orbital Theory to Biological Chemistry (Ⅰ). Correlation between the Electronic State of Chemical Carcinogens and their Carccinogenicity

分子軌道論의 現物化學에의 應用 (第1報). 化學發癌物質의 電子狀態와 發癌性과의 相關關係

  • 박병각 (嶺南大學校 文理科大學 化學科)
  • Published : 1980.06.30
Download PDF
⟨ Previous Next ⟩

Abstract

The electronic states of chemical carcinogens such as polycyclic aromatic hydrocarbons, heterocyclic compounds and dimethylaminoazobenzene (DAB) and its derivatives were examined and discussed for their carcinogenicity by means of simple Huckel method.The compounds which are 0.5 or more in the value of the sum of frontier electron density for nucleophilic reaction of the two atoms of K-region and that of the atom of L-region in the proximity of K-region were found to be agreed well with experimental results for carcinogenic activity. It is therefore suggested that both the K-region and the L-region play an important role in the formation of the molecular complex which was shown to be obtained in the combination of chemical carcinogen with cellular component in the first step of carcinogenesis.

化學發癌物質인 縮合炭化水素, 헤테로고리化合物 그리고 디메틸아미노아조벤젠 및 그의 유도체들의 電子狀態를 HMO로 調査하고 그들의 發癌活性을 論議하였다. K-領域의 두 原子와 그의 이웃한 L-領域의 原子들의 親核反應의 프론티어 전자밀도의 合의 값이 0.5 以上인 化合物들은 發癌活性에 있어서 實驗結果와 一致함을 알았다. 따라서 K-領域과 L-領域이 發癌作用의 첫단계로서 化學發癌物質과 生體成分과의 結合이 얻어진다는 것이 보고되어 있는 分子錯物의 形成에 重要한 役割을 한다고 생각한다.

Keywords

References

  1. A Herbert Michelman Book Cancer-Causing Agents R. Winter
  2. Cancer Research v.2 F. Bergmann
  3. J. Amer. Chem. Soc. v.63 W. F. Bruce
  4. J. Chem. Phys. v.22 H. M. Moodie;C. Reid
  5. J. Amer. Chem. Soc. v.62 R. N. Jones
  6. J. Amer. Chem. Soc. v.78 N. Fuson;M. L. Josien
  7. Cancer Research v.5 L. M. Schabad
  8. J. Amer. Chem. Soc. v.60 L. F. Fieser(et al.)
  9. J. Amer. Chem. Soc. v.60 L. F. Fieser(et al.)
  10. J. Amer. Chem. Soc. v.59 L. F. Fieser(et al.)
  11. J. Chem. Soc. G. M. Badger(et al.)
  12. Z. Physik. Chem. v.39 O. Schmidt
  13. Z. Physik. Chem. v.42 O. Schmidt
  14. Z. Physik. Chem. v.43 O. Schmidt
  15. Z. Physik. Chem. v.44 O. Schmidt
  16. J. Chem. Phys. v.18 B. Pullman(et al.)
  17. Compt. Rend. v.222 R. Daudel;A. Pull man
  18. J. Chem. Soc. G. M. Badger
  19. J. Amer. Chem. Soc. v.77 P. M. Bhargava(et al.)
  20. Brit. J. Cancer v.5 H. Greenwood
  21. J. Amer. Chem. Soc. v.74 M. J. S. Dewar
  22. Adv. in Cancer Research v.4 A. Lacasagne(et al.)
  23. Bull. Chem. Soc. Jadan v.27 T. Nakajima
  24. Cancer Research. v.15 C. Nagata(et al.)
  25. 量子化學入門(上) 米澤
  26. Chemical Carcinogenesis and Molecular Biology P. Daudel;R. Daudel
  27. Cancer Research v.11 P. E. Steiner