MO Theoretical Studies on Antitumor Activity of Purine Antimetabolites

퓨린 港代謝物의 抗癌活性에 관한 MO 이론적 연구

  • Kim Ho Soon (Department of Chemistry, Inha University) ;
  • Ikchoon Lee (Department of Chemistry, Inha University)
  • 김호순 (仁荷大學校 理科大學 化學科) ;
  • 이익춘 (仁荷大學校 理科大學 化學科)
  • Published : 1983.08.20


EHMO calculations were performed on several antitumor active as well as inactive purine antimetabolites. Results showed that the N atom (position 9) which corresponds to the position of sugar (position 10) linkage in DNA bases has a net negative charge for antitumor active whereas it has a positive charge for inactive purines. It was also found that overlap population was the smallest for bond between atoms 9 and 10, which agrees with the experimental findings that antitumor activity is effected after conversion to nucleotide level.



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