MO Interpretation for Anticancer Activity of Pt-complexes

백금착물 (II) 의 항암성에 관한 분자궤도론적 해석 (제1보)

  • 박병각 (영남대학교 이과대학 화학과) ;
  • 여환진 (경북대학교 사범대학 화학과)
  • Published : 1985.08.20


Extended Huckel Calculation of cis-and trans-dichloro diammine platinum(II), dichloroethylene diamine platinum(II) and their N-mono, di, tri and tetra-methylated or ethylated ones were carried out to investigate their anticancer activity. It was found that the net charge of two chlorine atoms in cis-isomers are greater than those in trans-ones and Pt-Cl bond energies of the former are less than that of the latter, indicating that Pt-Cl bond in cis-isomers has greater ionic character than that in trans-ones and Cl atoms in the former are easier to dissociated as Cl- than those in the latter. Also, the values of $b_{2g}-b_{1g}$ energy difference, ${\Delta}_1$ were found to be greater in cis-isomers than in trans-one without exceptions. For the substitution of methyl for H atom in ammine and ethylenediamine Pt-Cl bond strength shows the tendency to increase with increasing in number of methyl group. Accordingly, We believe that two Cl atoms in $PtLCl_2$-complexes (L: NH$_3$, en) are dissociated in the first step of the action of anticancer.



  1. Nature v.222 B. Rosenberg(et al.)
  2. Inorg, chem v.14 L. Rainen(et al.)
  3. Bioinorg. chem. v.2 M. J. Cleare(et al.)
  4. Struct. Bonding v.11 A.J. Thomson(et al.)
  5. Platinum Metals Rev. v.17 M.J. Cleare(et al.)
  6. Nature v.222 B. Rosenberg(et al.)
  7. Bioinorg, Chem. v.5 J.P. Macquet(et al.)
  8. Inorg. Chim. Acta v.55 T. Theophanides(et al.)
  9. J.A.C.S. v.102 S.T. Lippard(et al.)
  10. J.A.C.S. v.103 S.T. Lippard(et al.)
  11. Chem. BioI. Interactions v.30 E.A. Boudreaux(et al.)
  12. International J. of Quantum Chem. v.18 E.A. Boudreaux(et al.)
  13. J.C.P. v.41 G. Burns
  14. Introduction to Applied Quantum Chemistry. D.G. Carroll(et al.)
  15. Sigma M. O. theory M.A. Whitehead(et al.)
  16. J.C.P. v.36 J.W. Richardson
  17. Theoret. Chim. Acta (Berl.) v.4 H.B. Gray
  18. Coord. Chem. Rev. v.12 M.J. Cleere
  19. Inorg. Chimica Acta v.5 D.A. Brown