Neurological disorders pose significant challenges in terms of treatment options, necessitating the exploration of novel therapeutic approaches. Trigonelline, a naturally occurring alkaloid found in various plants, has emerged as a potential treatment option. It has also been reported that trigonelline is involved in several pathways like; Oxidative Stress and Antioxidant, Inflammatory, Neuroprotection and Neurotrophic, Mitochondrial Function and Energy Metabolism. This study aims to investigate the therapeutic potential of trigonelline for diverse neurological disorders using a molecular docking approach. Molecular docking simulations were performed to predict the binding affinity and interaction between trigonelline and target proteins implicated in neurological disorders. The structural requirements for effective binding were also explored. The molecular docking results revealed strong binding interactions and favorable binding affinities between trigonelline and the target proteins involved in diverse neurological disorders like Alzheimer’s disease, Parkinson’s disease, epilepsy, and depression etc. The predicted binding modes provided insights into the key molecular interactions governing the ligand-protein complexes. The findings suggest that trigonelline holds promise as a therapeutic approach for several neurological disorders. The molecular docking approach employed in this study provides a valuable tool for rational drug design and optimization of trigonelline-based compounds. Further experimental validation and preclinical studies are warranted to confirm the efficacy and safety of trigonelline as a potential treatment option, paving the way for the development of more effective and targeted therapies for neurological disorders.

神经系统疾病在治疗选择方面提出了重大挑战，因此需要探索新的治疗方法。葫芦巴碱是一种在多种植物中发现的天然生物碱，已成为一种潜在的治疗选择。据报道，葫芦巴碱参与多种途径，例如：氧化应激和抗氧化、炎症、神经保护和神经营养、线粒体功能和能量代谢。本研究旨在利用分子对接方法研究葫芦巴碱对多种神经系统疾病的治疗潜力。进行分子对接模拟来预测葫芦巴碱和神经系统疾病中涉及的靶蛋白之间的结合亲和力和相互作用。还探讨了有效结合的结构要求。分子对接结果揭示了葫芦巴碱与多种神经系统疾病（如阿尔茨海默病、帕金森病、癫痫和抑郁症等）靶蛋白之间存在强结合相互作用和良好的结合亲和力。预测的结合模式为控制配体的关键分子相互作用提供了见解。 -蛋白质复合物。研究结果表明，葫芦巴碱有望成为多种神经系统疾病的治疗方法。本研究中采用的分子对接方法为合理的药物设计和葫芦巴碱化合物的优化提供了有价值的工具。需要进一步的实验验证和临床前研究来确认葫芦巴碱作为潜在治疗选择的有效性和安全性，为开发更有效和更有针对性的神经系统疾病疗法铺平道路。