New benzimidazole-indole-amide derivatives as potent α-glucosidase and acetylcholinesterase inhibitors

Basit Öğe Kaydı
dc.contributor.authorNaimi, Narges
dc.contributor.authorKarimian, Somaye
dc.contributor.authorDastyafteh, Navid
dc.contributor.authorNoori, Mild
dc.contributor.authorMohammadi-Khanaposhtani, Maryam
dc.contributor.authorDadgar, Armin
dc.contributor.authorLarijani, Bagher
dc.date.accessioned2026-04-04T13:37:44Z
dc.date.available2026-04-04T13:37:44Z
dc.date.issued2024
dc.departmentİnönü Üniversitesi
dc.description.abstractNew derivatives 6a-m with benzimidazole-indole-amide scaffold were developed, synthesized, and assessed for potential inhibitory effects on alpha-glucosidase and acetylcholinesterase (AChE). These compounds were synthesized by various amine derivatives. With the exception of two compounds, the alpha-glucosidase inhibitory activities of the title derivatives were more than that of the positive control acarbose. Moreover, the anti-AChE activity of these compounds, with the exception of one compound, was better than that of tacrine (standard inhibitor). The most potent compound against alpha-glucosidase was 3-methylphenyl derivative 6i and the most potent compound against AChE was 3,4-dimethoxyphenethyl derivative 6m. All the synthesized compounds were placed in the active sites of alpha-glucosidase and AChE by in silico docking method and the obtained binding energies were approximately in agreement with the in vitro observed data. Interaction modes of the most potent compounds 6i and 6m demonstrated that these compounds interacted with important residues of their target enzymes. Molecular dynamics simulation was conducted specifically on compound 6i in complex with alpha-glucosidase to obtain deeper insights into the behavior of this molecule. Furthermore, in silico pharmacokinetic and toxicity studies on the most potent compound predicted that these compounds have good profiles in terms of oral absorption and toxicity.
dc.description.sponsorshipNone Funding Source: Medline
dc.identifier.doi10.1002/ardp.202400354
dc.identifier.issn0365-6233
dc.identifier.issn1521-4184
dc.identifier.issue1
dc.identifier.orcid0000-0002-0755-6947
dc.identifier.orcid0000-0001-7664-9664
dc.identifier.pmid39721987
dc.identifier.scopus2-s2.0-85213044805
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1002/ardp.202400354
dc.identifier.urihttps://hdl.handle.net/11616/110006
dc.identifier.volume358
dc.identifier.wosWOS:001382845600001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherWiley-V C H Verlag Gmbh
dc.relation.ispartofArchiv Der Pharmazie
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_WOS_20250329
dc.subjectbenzimidazole
dc.subjectdiabetes
dc.subjectindole
dc.subjectmolecular docking
dc.subjectmolecular dynamics
dc.titleNew benzimidazole-indole-amide derivatives as potent α-glucosidase and acetylcholinesterase inhibitors
dc.typeArticle

Dosyalar

Koleksiyon

WoS İndeksli Yayınlar Koleksiyonu
PubMed İndeksli Yayın Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu