Computational identification of Allium sativum phytochemicals with predicted binding to the dopamine D2 receptor...

Bipolar disorder is a mental illness that causes people to have periods of mania and depression. The dopamine D2 receptor (D2DR), which modulates dopamine levels and is essential for the reward system, mood stabilization, and motivation, along with the serotonin 5-HT2A receptor (HT2AR), which significantly influences mood stability, cognitive function, and anxiety responses via serotonergic signaling, are crucial in bipolar disorder. It was studied the potential interactions of Allium sativum L. chemicals with the dopamine D2 receptor and serotonin 5-HT2A receptor by in silico approaches. This study suggests that the bioactive compounds found in A. sativum L. may exhibit binding affinity toward the dopamine D2 receptor. In contrast, considerably lower binding affinities were observed toward the serotonin 5-HT2A receptor. Their predicted binding characteristics toward the dopamine D2 receptor are reported for the first time. According to findings, especially N-trans-feruloyltramine possesses a structurally stable binding affinity for the dopamine D2 receptor and may represent a computationally prioritized ligand for future experimental investigation concentrating on dopaminergic signaling. Further experimental studies are required to validate these computational findings.