Novel diazen-bis(phenoxy-1,2,3-triazole-N-phenylacetamide) derivatives as potent anti-cholinesterase, anti-α-glycosidase and anti-a-amylase agents: In vitro and in silico evaluations

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dc.contributor.authorKermaninia, Shahab
dc.contributor.authorMohammadi-Khanaposhtani, Maryam
dc.contributor.authorBagherian, Nafiseh
dc.contributor.authorDastyafteh, Navid
dc.contributor.authorMoradkhani, Fatemeh
dc.contributor.authorSaeedi, Saeedeh
dc.contributor.authorLarijani, Bagher
dc.date.accessioned2026-04-04T13:34:54Z
dc.date.available2026-04-04T13:34:54Z
dc.date.issued2025
dc.departmentİnönü Üniversitesi
dc.description.abstractIn this work, new diazen-bis(phenoxy-1,2,3-triazole-N-phenylacetamide) derivatives 9a-n were designed, synthesized, and evaluated as acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibitors that are two important targets in the treatment of Alzheimer's disease (AD). These compounds were also evaluated against alpha-amylase and alpha-glycosidase because they were structurally similar to some inhibitors of these enzymes. In vitro evaluations demonstrated that, with the exception of alpha-glycosidase, most of the new synthesized compounds showed significant inhibitory effect against the studied enzymes. In this regard, the most potent compound against AChE and BChE (compound 9 h) was around 2 times more potent than standard inhibitor (tacrine) against these enzymes. Moreover, the most potent compound against alpha-amylase (compound 9i) was around 3.8 folds more potent than standard inhibitor (acarbose). Molecular modeling study demonstrated that these most potent compounds were attached to the active sites of the related target enzymes with the binding energies more favorable than used standard inhibitors. Furthermore, docking studies exhibited that compound 9 h interacted with both the catalytic anionic site (CAS) and the peripheral anionic site (PAS) of the binding sites AChE and BChE. These interactions are valuable to select a compound as the lead compound in the treatment of AD.
dc.description.sponsorshipNational Institute for Medical Research Development (NIMAD) [4021352]; Inonu University Faculty of Science Department of Chemistry
dc.description.sponsorshipWe thankfully acknowledge the support of National Institute for Medical Research Development (NIMAD) (Project code: 4021352). Also, the acknowledge. Inonu University Faculty of Science Department of Chemistry for the NMR characterization of the compounds.
dc.identifier.doi10.1016/j.molstruc.2025.143490
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-105012585285
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2025.143490
dc.identifier.urihttps://hdl.handle.net/11616/109479
dc.identifier.volume1348
dc.identifier.wosWOS:001631850700001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Molecular Structure
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250329
dc.subjectPhenoxy-1,2,3-triazol-acetamide
dc.subjectDiazen
dc.subjectbutyrylcholinesterase
dc.subjectacetylcholinesterase
dc.subjectalpha-Glycosidase
dc.titleNovel diazen-bis(phenoxy-1,2,3-triazole-N-phenylacetamide) derivatives as potent anti-cholinesterase, anti-α-glycosidase and anti-a-amylase agents: In vitro and in silico evaluations
dc.typeArticle

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