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7,8-Dihydroxycoumarin derivatives: In silico molecular docking and in vitro anticholinesterase activity

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dc.contributor.authorÖZDEMİR, MÜCAHİT
dc.contributor.authorTAŞKIN, TURGUT
dc.contributor.authorYALÇIN, BAHATTİN
dc.contributor.authorsÖZDEMİR M., Taşkın D., Ceyhan D., Köksoy B., TAŞKIN T., Bulut M., YALÇIN B.
dc.date.accessioned2023-01-02T11:55:24Z
dc.date.available2023-01-02T11:55:24Z
dc.date.issued2023-02-15
dc.description.abstract© 2022In this study, acetylcholinesterase enzyme (AChE) inhibition potential and antioxidant activity of eight different coumarin derivatives together with two (5 and 8) newly synthesized coumarins were investigated. The results showed that all compounds exhibited inhibitory activity on AChE. Compounds 1 (96.83%), 3 (96.72%), and 2 (95.48%) showed the highest inhibitory activity and the results were more significant than that of galantamine (93.14%). Compound 7 displayed the most potent inhibition of AChE (92.12%), close to galantamine. Molecular docking studies of AChE were carried out to support in vitro testing. In addition, the antioxidant activities of coumarins were performed with DPPH, FRAP, and CUPRAC methods. Among them, compound 7 had the highest results in all the assays. The pharmacokinetic properties of compounds were determined using ADMET estimates; target coumarins may be drug candidates for Alzheimer\"s disease, especially compound 7 may be used as an antioxidant agent in the future after detailed analysis.
dc.identifier.citationÖZDEMİR M., Taşkın D., Ceyhan D., Köksoy B., TAŞKIN T., Bulut M., YALÇIN B., "7,8-Dihydroxycoumarin derivatives: In silico molecular docking and in vitro anticholinesterase activity", Journal of Molecular Structure, cilt.1274, 2023
dc.identifier.doi10.1016/j.molstruc.2022.134535
dc.identifier.issn0022-2860
dc.identifier.urihttps://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85142887195&origin=inward
dc.identifier.urihttps://hdl.handle.net/11424/284703
dc.identifier.volume1274
dc.language.isoeng
dc.relation.ispartofJournal of Molecular Structure
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectKimya
dc.subjectAnalitik Kimya
dc.subjectBiyokimya
dc.subjectBiyoinorganik Kimya
dc.subjectFizikokimya
dc.subjectSpektroskopi
dc.subjectİnorganik Kimya
dc.subjectTemel Bilimler
dc.subjectChemistry
dc.subjectAnalytical Chemistry
dc.subjectBiochemistry
dc.subjectBioinorganic Chemistry
dc.subjectPhysical Chemistry
dc.subjectSpectroscopy
dc.subjectInorganic Chemistry
dc.subjectNatural Sciences
dc.subjectTemel Bilimler (SCI)
dc.subjectKİMYA, İNORGANİK VE NÜKLEER
dc.subjectKİMYA, ANALİTİK
dc.subjectSPEKTROSKOPİ
dc.subjectKİMYA, ORGANİK
dc.subjectNatural Sciences (SCI)
dc.subjectCHEMISTRY
dc.subjectCHEMISTRY, INORGANIC & NUCLEAR
dc.subjectCHEMISTRY, ANALYTICAL
dc.subjectSPECTROSCOPY
dc.subjectCHEMISTRY, ORGANIC
dc.subjectFizik Bilimleri
dc.subjectOrganik Kimya
dc.subjectİnorganik kimya
dc.subjectPhysical Sciences
dc.subjectOrganic Chemistry
dc.subjectAcetylcholinesterase
dc.subjectAntioxidant assay
dc.subjectBiological activity
dc.subjectCoumarin
dc.subjectMolecular docking
dc.title7,8-Dihydroxycoumarin derivatives: In silico molecular docking and in vitro anticholinesterase activity
dc.typearticle
dspace.entity.typePublication
local.avesis.idbab79dd6-9c58-4993-9615-722656063ca5
local.indexed.atSCOPUS
relation.isAuthorOfPublication8ce578f0-69d2-471b-ae61-0d2526613f8f
relation.isAuthorOfPublication265414e9-485c-42b8-903a-c467f6b49b84
relation.isAuthorOfPublication6405e2ff-5dd8-487d-a639-ac5fcc0832bc
relation.isAuthorOfPublication.latestForDiscovery8ce578f0-69d2-471b-ae61-0d2526613f8f

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