| 英文摘要 |
Alzheimer’s disease is a neurodegenerative disease that causes memory and cognitive abilities to deteriorate. Alzheimer’s disease symptoms commonly appear in persons in their mid-60s. There is no cure for the disease yet, but there are various treatments to help manage symptoms. Scientists from varied fields of biomedical sciences such as stem cell and regenerative medicine, genetics, and systems biology have been working on a potential cure. Presently, there are more than 121 therapeutics under trial, which target different histopathological mechanisms of Alzheimer’s disease, of which a promising and effective mechanism is the Cholinergic Hypothesis. This hypothesis describes the degradation of acetylcholine by the enzyme acetylcholinesterase (AChE) as the main causative factor for AD development. Although there are various anti-AChE medications in the market, such as Donepezil and Rivastigmine, they cause side effects, including anorexia, syncope, nausea, and diarrhea, while severe side effects include depression and mood hallucinations. Natural agents are often a safer alternative to these synthetic drugs. One such being, Bacopa monnieri, a medicinal plant known to enhance memory and cognition. The present research is aimed at analyzing 200 molecules by bioinformatics approaches such as Molecular Docking and Dynamics. The Docking and ADMET results showed 6 ligands as possible leads for Butyrylcholinesterase (BChE) and AChE. The results from the Dynamics studies show that Oroxindin, a natural phytochemical from Bacopa monnieri, can be a potential inhibitor for AChE, which can thus be used as potential therapeutics. |
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