Relationship between the electronic structure and biological activity of inhibitors of purine nucleoside phosphorylase: 1. Acyclonucleosides of guanine and hypoxanthine.
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.
Shcherbo
S N
SN
Research Centre of Molecular Diagnostics, Ministry of Health of the USSR, Moscow.
Ananiev
A V
AV
Akopyan
Zh I
ZhI
D000818:Animals; D006151:Guanosine / Q000737:chemistry*; D007288:Inosine / Q000737:chemistry*; D008968:Molecular Conformation; D015394:Molecular Structure; D011817:Rabbits; D012044:Regression Analysis
D006151:Guanosine; D007288:Inosine