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Identification of Herbal Molecules for the Treatment of Alzheimer's Disease Through a Combination of Molecular Docking and In-Vitro Analysis

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Title Identification of Herbal Molecules for the Treatment of Alzheimer's Disease Through a Combination of Molecular Docking and In-Vitro Analysis
 
Creator Nagu, Priyanka
Pathan, Amjad Khan A
Mehta, Vineet
 
Subject Acetylcholinesterase
Alzheimer’s disease
Butyrylcholinesterase
Quercetin
Rutin
 
Description 504-514
Currently, there is a lack of therapeutic interventions that can modify the development and progression of Alzheimer's
Disease (AD). The thorough pathology of AD remains unclear, creating ample opportunities for research aimed at
developing innovative therapeutic approaches for managing the disease. The present research involved a literature survey to
identify 100 herbal molecules that could potentially be beneficial in inhibiting Acetylcholinesterase (AChE),
Butyrylcholinesterase (BChE), β-Secretase, and mitigating oxidative and inflammatory stress, as well as neurodegeneration.
The herbal molecules were screened against AChE, BChE, and β-Secretase using AutoDock Tools-1.5.6 docking software
with Protein Data Bank (PDB) ID 1B41, 1P0I, and 1FKN, respectively. After assessing the docking parameters, it was
determined that quercetin, rutin, vitisinol-C, dihydrotanshinone-I, and β-carotene exhibited the strongest potential against
their respective protein receptors. Additionally, our in-vitro AChE and BChE assay results showed that quercetin and rutin
have the ability to modulate cholinergic pathways associated with AD, thus providing potential therapeutic benefits. Our
in-vitro studies on neurodegeneration revealed that quercetin and rutin exhibit a neuroprotective effect against
neurodegeneration induced by HgCl2, which suggests that they may have a potential role in protecting against
neurodegeneration in AD. Nonetheless, additional preclinical investigations are essential to validate the potential effects of
these molecules on AD pathogenesis.
 
Date 2023-05-10T05:27:37Z
2023-05-10T05:27:37Z
2023-05
 
Type Article
 
Identifier 0022-4456 (Print); 0975-1084 (Online)
http://nopr.niscpr.res.in/handle/123456789/61890
https://doi.org/10.56042/jsir.v82i05.1076
 
Language en
 
Publisher NIScPR-CSIR,India
 
Source JSIR Vol.82(05) [May 2023]