title: Relationship between the electronic structure and biological activity of inhibitors of purine nucleoside phosphorylase: 1. Acyclonucleosides of guanine and hypoxanthine.
abstract: The electronic and conformational properties of some acyclonucleosides of guanine and hypoxanthine were studied by the modified intermediate neglect of differential overlap (MINDO/3) molecular orbital method. There is a significant linear relationship between the ionization potentials of these compounds and their inhibitory effect on purine nucleoside phosphorylase, a key enzyme in purine metabolism.
authors: Research Centre of Molecular Diagnostics, Ministry of Health of the USSR, Moscow.
authors: S N
authors: SN
authors: Shcherbo
authors: A V
authors: AV
authors: Ananiev
authors: Zh I
authors: ZhI
authors: Akopyan
mesh_terms: D000818:Animals; D006151:Guanosine / Q000737:chemistry*; D007288:Inosine / Q000737:chemistry*; D008968:Molecular Conformation; D015394:Molecular Structure; D011817:Rabbits; D012044:Regression Analysis
chemical_list: D006151:Guanosine; D007288:Inosine