title: 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 (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.
authors.affiliation: Department of Pharmacy, BGC Trust University Bangladesh, Chittagong-4000, Bangladesh.
authors.forename: Raju
authors.initials: R
authors.lastname: Dash
authors.affiliation: Department of Pharmacy, BGC Trust University Bangladesh, Chittagong-4000, Bangladesh ; Department of Biochemistry and Molecular Biology, University of Chittagong, Chittagong-4331, Bangladesh.
authors.forename: Talha Bin
authors.initials: TB
authors.lastname: Emran
authors.affiliation: Department of Pharmacy, University of Chittagong, Chittagong-4331, Bangladesh.
authors.forename: Mir Muhammad Nasir
authors.initials: MM
authors.lastname: Uddin
authors.affiliation: Department of Biochemistry and Molecular Biology, University of Chittagong, Chittagong-4331, Bangladesh ; Subject Teacher, Department of Biology and Human Biology, Chittagong Grammar School (CGS), Sarson Road, AskarDiggi, Chittagong-4000, Bangladesh.
authors.forename: Ashekul
authors.initials: A
authors.lastname: Islam
authors.affiliation: Department of Pharmacy, BGC Trust University Bangladesh, Chittagong-4000, Bangladesh.
authors.forename: Md
authors.initials: M
authors.lastname: Junaid
keywords: ABAD; AChE; Alzheimer׳s disease; BACE1; docking; fisetin