Investigation of the relationship between the inhibitory activity of glycolic acid oxidase (GAO) and its chemical structure: Electron-topological approach


Guzel Y.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.366, pp.131-137, 1996 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 366
  • Publication Date: 1996
  • Doi Number: 10.1016/0166-1280(96)04514-9
  • Title of Journal : JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Page Numbers: pp.131-137
  • Keywords: glycolic acid oxidase, enzyme inhibitor, structure-activity relationship, electronic structure, ODOR

Abstract

Rules for the occurrence of the inhibitory activity of glycolic acid oxidase are formulated and discussed in terms of the so-called electron-topological approach. It is shown that the molecular fragment responsible for this kind of activity possesses fixed electronic and geometrical characteristics caused by a definite spatial arrangement of an oxygen atom and a group of carbon atoms. A series of 85 compounds including 36 active and 49 inactive compounds was studied.