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Design, synthesis, biological activity evaluation and in silico studies of new nicotinohydrazide derivatives as multi-targeted inhibitors for Alzheimer's disease

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dc.contributor.authorTOK, FATİH
dc.contributor.authorKAYMAKÇIOĞLU, BEDİA
dc.contributor.authorsTOK F., SAĞLIK B. N., ÖZKAY Y., KAPLANCIKLI Z. A., KAYMAKÇIOĞLU B.
dc.date.accessioned2023-07-10T13:04:01Z
dc.date.available2023-07-10T13:04:01Z
dc.date.issued2022-10-01
dc.description.abstractA new series of 6-chloro-N\"-(substituted benzylidene)nicotinohydrazide were synthesized via condensation reactions between the corresponding hydrazides and aldehydes . All compounds were tested for their AChE and BuChE inhibitory activity. Compounds P5, P7, P9, P10 and P12 exhibited significant AChE inhibition potencies. Among them, compound P5 having para nitro substituent was found to be the most effective derivative against AChE with an IC50 value of 0.027 +/- 0.001 mu M. After that, the BACE-1 and beta-amyloid plaque inhibitory potencies of selected compounds P5, P7, P9, P10 and P12 were evaluated. Among them, compound P5 displayed the highest inhibition rate against the BACE-1 enzyme and beta-amyloid plaque. Molecular docking studies were carried out using both AChE and BACE-1 crystals to determine the compound\"s interactions with the enzyme\"s active sites. Furthermore, we evaluated the ADMET properties of compounds and their blood-brain barrier (BBB) permeation was also found to be high. (C) 2022 Elsevier B.V. All rights reserved.
dc.identifier.citationTOK F., SAĞLIK B. N., ÖZKAY Y., KAPLANCIKLI Z. A., KAYMAKÇIOĞLU B., "Design, synthesis, biological activity evaluation and in silico studies of new nicotinohydrazide derivatives as multi-targeted inhibitors for Alzheimer's disease", JOURNAL OF MOLECULAR STRUCTURE, cilt.1265, 2022
dc.identifier.doi10.1016/j.molstruc.2022.133441
dc.identifier.issn0022-2860
dc.identifier.urihttps://www.sciencedirect.com/science/article/pii/S0022286022010973?via%3Dihub
dc.identifier.urihttps://hdl.handle.net/11424/291019
dc.identifier.volume1265
dc.language.isoeng
dc.relation.ispartofJOURNAL OF MOLECULAR STRUCTURE
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectKimya
dc.subjectFizikokimya
dc.subjectTemel Bilimler
dc.subjectChemistry
dc.subjectPhysical Chemistry
dc.subjectNatural Sciences
dc.subjectKİMYA, FİZİKSEL
dc.subjectTemel Bilimler (SCI)
dc.subjectCHEMISTRY, PHYSICAL
dc.subjectCHEMISTRY
dc.subjectNatural Sciences (SCI)
dc.subjectYüzeyler ve Arayüzler
dc.subjectKimya (çeşitli)
dc.subjectGenel Kimya
dc.subjectFiziksel ve Teorik Kimya
dc.subjectYüzeyler, Kaplamalar ve Filmler
dc.subjectFizik Bilimleri
dc.subjectSurfaces and Interfaces
dc.subjectChemistry (miscellaneous)
dc.subjectGeneral Chemistry
dc.subjectPhysical and Theoretical Chemistry
dc.subjectSurfaces, Coatings and Films
dc.subjectPhysical Sciences
dc.subjectAlzheimer's disease
dc.subjectBeta-amyloid plaque
dc.subjectBeta secretase
dc.subjectCholinesterase inhibitors
dc.subjectHydrazone
dc.subjectMolecular docking
dc.subjectBENZYL PYRIDINIUM MOIETY
dc.subjectACETYLCHOLINESTERASE INHIBITORS
dc.subjectPOTENTIAL ACETYLCHOLINESTERASE
dc.subjectCHOLINESTERASE-INHIBITORS
dc.subjectMONOAMINE-OXIDASE
dc.subjectMOLECULAR DOCKING
dc.subjectBINDING
dc.subjectHYBRIDS
dc.subjectVIEW
dc.subjectAlzheimer’s disease
dc.subjectBeta-amyloid plaque
dc.subjectBeta secretase
dc.subjectCholinesterase inhibitors
dc.subjectHydrazone
dc.subjectMolecular docking
dc.titleDesign, synthesis, biological activity evaluation and in silico studies of new nicotinohydrazide derivatives as multi-targeted inhibitors for Alzheimer's disease
dc.typearticle
dspace.entity.typePublication
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local.indexed.atWOS
local.indexed.atSCOPUS
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relation.isAuthorOfPublication.latestForDiscovery0a1c1aab-25cc-4eb2-9121-496da16c3ff1

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