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Molecular docking of fisetin with AD associated AChE, ABAD and BACE1 proteins.

ABSTRACT: Alzheimer?s disease (AD) is one of the most common dementias showing slow progressive cognitive decline. Progression of intracerebral accumulation of beta amyloid (A?) peptides by the action of amyloid binding alcohol dehydrogenase (ABAD), a mitochondrial enzyme and ?-site amyloid precursor protein cleaving enzyme 1 (BACE1) and the degradation of Acetylcholinesterase (AChE) the main pathological characteristics of AD. Therefore, it is of interest to evaluate the importance of fisetin (a flavonol that belongs to the flavonoid group of polyphenols) binding with AChE, ABAD and BACE1 proteins. Docking experiment of fisetin with these proteins using two different tools namely iGEMDOCK and FlexX show significant binding with acceptable binding values. Thus, the potential inhibitory role of fisetin with AD associated proteins is documented.

SUBMITTER: Dash R

PROVIDER: S-EPMC4209364 | biostudies-literature | 2014

REPOSITORIES: biostudies-literature

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Molecular docking of fisetin with AD associated AChE, ABAD and BACE1 proteins.

Dash Raju R Emran Talha Bin TB Uddin Mir Muhammad Nasir MM Islam Ashekul A Junaid Md M

Bioinformation 20140930 9

Alzheimer׳s disease (AD) is one of the most common dementias showing slow progressive cognitive decline. Progression of intracerebral accumulation of beta amyloid (Aβ) peptides by the action of amyloid binding alcohol dehydrogenase (ABAD), a mitochondrial enzyme and β-site amyloid precursor protein cleaving enzyme 1 (BACE1) and the degradation of Acetylcholinesterase (AChE) the main pathological characteristics of AD. Therefore, it is of interest to evaluate the importance of fisetin (a flavonol ...[more]

PMID: 25352723

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