Gamma-aminobutyric acid (GABA) plays a pivotal role in neuronal regulation within the Brain. This study aims to explore potential interactions between synthesized GABA derivatives and GATI through molecular docking simulations. Initially, GABA's historical significance and Therapeutic applications are outlined. The mechanism of action of GABAergic drugs and the role of GATI are elucidated. Subsequently, using ADME procedures and molecular docking protocols, the Physicochemical properties of synthesized compounds and their binding affinities to GATI are Investigated. Results reveal high gastrointestinal absorption and varying blood-brain barrier Permeability among the compounds. Docking studies show promising interactions, with compound G8 exhibiting notable affinity attributed possibly to hydrogen bond formations. This research offers Insights into potential drug development targeting GATI for modulating GABAergic signaling.