Volume 4, Number 4, pp. 215–217
Comparative description of the biologically active derivatives of purine
J.A. Kereselidze1, Z.V. Pachulia2, T.Sh. Zarqua2 and E.J. Churgulia2
Department of Chemistry, Tbilisi State University, 3 Chavchavadze Ave, 0128 Tbilisi, Georgia
2 Department of Natural Sciences, Sukhumi Branch of Tbilisi State University, 10 Jiqia St, 0114 Tbilisi, Georgia
The values of the enthalpy (∆H), dipole moment (μ), ionization potential (I), electron affinity (A), difference of energy between highest occupied and lowest vacant orbitals (∆E) and orbital population [qi(2s2)] of some derivatives of purine have been calculated by means of the quantum-chemical semi-empirical method AM1. A comparative description of the biologically active derivatives of purine has been conducted with the help of these physico-chemical characteristics.
Keywords: adenine, guanine, hypoxanthine, purine, xanthine, quantum chemistry
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