Department of Paediatrics and Child Health, Faculty of Health Sciences, Medical College, The Aga Khan University, Karachi, Pakistan.
Biological and Biomedical Sciences, The Aga Khan University, Karachi, Pakistan.
Clin Neuropharmacol. 2024;47(5):176-180. doi: 10.1097/WNF.0000000000000608. Epub 2024 Sep 16.
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.
The molecular docking analysis focused on receptors implicated in neuroinflammation, oxidative stress, and neurotransmission regulation.
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.
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.
神经紊乱是全球性的健康挑战，需要寻找新的治疗药物。芹菜素是一种大量存在于各种植物中的天然类黄酮，因其具有神经保护特性而受到关注。在这项研究中，我们采用分子对接模拟研究了芹菜素与神经紊乱相关关键分子靶标的相互作用。
分子对接分析集中在与神经炎症、氧化应激和神经递质调节相关的受体上。
我们的结果表明，芹菜素与包括 GABA、mACh、nACh、NMDA、5HTA、AMPA、胰岛素和多巴胺受体在内的关键靶标具有高结合亲和力。研究结果表明，芹菜素可能通过多种机制发挥神经保护作用，包括抗炎、抗氧化和神经递质调节途径。此外，不存在不良结合构象强调了芹菜素的安全性。
这项分子对接研究为芹菜素在减轻神经紊乱相关分子途径中的治疗作用提供了有价值的见解。需要进一步的体外和体内研究来验证和阐明芹菜素的神经保护机制，为其开发为各种神经疾病的有前途的治疗选择铺平道路。
