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Unveiling Neuroprotective Potential of Spice Plant-Derived Compounds against Alzheimer's Disease: Insights from Computational Studies
This study investigated the therapeutic potential of phytochemicals that belong to the ten regularly used spice plants, based on their binding affinity with AD-associated proteins. Comprehensive docking studies were performed using AutoDock Vina in PyRx followed by molecular dynamic (MD) simulations using AMBER 14. The docking study of the chosen molecules revealed the binding energies of their interactions with the target proteins, while MD simulations were carried out to verify the steadiness of bound complexes. Through the Lipinski filter and admetSAR analysis, the chosen compounds' pharmacokinetic characteristics and d...
Source: International Journal of Alzheimers Disease - September 25, 2023 Category: Geriatrics Authors: Md Murshid Alom Rejwana Parvin Bonna Ariful Islam Md Wasim Alom Md Ekhtiar Rahman Md Omar Faruqe Md Khalekuzzaman Rashed Zaman Md Asadul Islam Source Type: research