Akademik Veri Yönetim Sistemi
11th International EUROPEAN CONGRESS ON SCIENTIFIC RESEARCH, Rome, İtalya, 11 - 13 Kasım 2024, ss.213-214, (Özet Bildiri)
Parkinson's disease (PD) and Alzheimer's disease (AD) are neurodegenerative disorders that have emerged among the serious health problems of the 21st century. Currently available drugs to treat AD and PD have limited efficacy and many side effects. Natural products are one of the most vital and reliable sources of drugs to treat neurological problems. Alkaloids are a type of benzylisoquinoline alkaloids (BIA) isolated mainly from Papaver somniferum and various medicinal plants and have been reported to have numerous health benefits. However, the effect of alkaloids on AD and PD has not yet been systematically investigated. In silico studies were conducted with molecular docking analysis with five possible targets for AD and four targets for PD to evaluate the neuroprotective effect of major alkaloids obtained from Papaver somniferum. The findings were compared with several standard drugs available using Auto Dock 1.5.7 software. Additionally, the physicochemical properties (Lipinski five rule), drug similarity and absorption, distribution, metabolism, elimination and toxicity (ADMET) profiles of major alkaloids were also studied. Molecular docking (MD) analysis was performed to analyze the dynamic behaviors of major alkaloids and binding free energy on 100 ns time scale. The identified major alkaloids comply with all the Lipinski five drug similarity rules with ADMET profiles suitable for therapeutic use. The majority of the docking scores (kcal/mol) showed comparatively similar or higher potency against AD and PD related targets compared to currently used standard drugs. Overall, the potential binding affinity from molecular docking, static thermodynamic property from MD simulation and other multiparameter drug-ability profiles suggest that these major alkaloids can be considered as suitable therapeutic leads for the treatment of AD and PD. Moreover, the current results do not show any similar study on Alzheimer's with five major alkaloids in the literature. However, in order to use major alkaloids as a potential drug against AD and PD treatment, necessary in vivo studies, clinical trials, bioavailability, permeability and safe dosing etc. are required, the results of the in silico studies are an important and effective method applied to accelerate drug development.