Molecular docking of fisetin with AD associated AChE,ABAD and BACE1 proteins |
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| Authors: | Raju Dash Talha Bin Emran Mir Muhammad Nasir Uddin Ashekul Islam Md Junaid |
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| Institution: | 1.Department of Pharmacy, BGC Trust University Bangladesh, Chittagong-4000, Bangladesh;2.Department of Biochemistry and Molecular Biology, University of Chittagong, Chittagong-4331, Bangladesh;3.Department of Pharmacy, University of Chittagong, Chittagong-4331, Bangladesh;4.Subject Teacher, Department of Biology and Human Biology, Chittagong Grammar School (CGS), Sarson Road, AskarDiggi, Chittagong-4000, Bangladesh |
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| Abstract: | 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 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. |
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| Keywords: | Alzheimer׳ s disease fisetin AChE ABAD BACE1 docking |
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