Molecular Docking Analysis Reveals the Promising Role of Apigenin as a Potential Treatment for Neurological Disorders.

Abstract

OBJECTIVES Neurological disorders represent a significant global health challenge, necessitating the exploration of novel therapeutic agents. Apigenin, a natural flavonoid abundantly found in various plants, has garnered attention for its potential neuroprotective properties. In this study, we employed molecular docking simulations to investigate the interaction between apigenin and key molecular targets associated with neurological disorders. METHODS The molecular docking analysis focused on receptors implicated in neuroinflammation, oxidative stress, and neurotransmission regulation. RESULTS Our results reveal a high binding affinity of apigenin towards critical targets, including GABA, mACh, nACh, NMDA, 5HTA, AMPA, insulin, and dopamine receptors. The findings suggest that apigenin may exert its neuroprotective effects through multifaceted mechanisms, including anti-inflammatory, antioxidant, and neurotransmission regulatory pathways. Additionally, the absence of adverse binding poses emphasizes the safety profile of apigenin. CONCLUSIONS This molecular docking study provides valuable insights into the potential therapeutic role of apigenin in mitigating molecular pathways implicated in neurological disorders. Further in vitro and in vivo investigations are warranted to validate and elucidate the neuroprotective mechanisms of apigenin, paving the way for its development as a promising treatment option for various neurological conditions.