In silico analysis of the inhibitory activities of GABA derivatives on 4-aminobutyrate transaminase

Abstract

Reduced levels of γ-aminobutyric acid (GABA) are cause of quite a many diseases, and it cannot be directly introduced into the body to enhance its level because of the blood–brain barrier. Thus the technique used for the purpose involves the inhibition of aminobutyrate transaminase (ABAT), the enzyme catalyzing its degradation. The structure of human ABAT is not currently known experimentally, thus, it was predicted by homology modeling using pig ABAT as template due to high level of sequence similarity and conservation. A series of new γ-aminobutyric acid (GABA) derivatives obtained from 4-(1,3-dioxoisoindolin-2-yl)butanoic acid are used in this study. These γ -aminobutyric acid (GABA) derivatives were used as ligand dockings against human ABAT as well as pig ABAT receptors.

Keywords

• GABA
• Aminobutyrate transaminase
• ABAT
• Homology modeling
• Docking studies
• GABA inhibitors