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Exploring Benzo[ b ][1,4]Thiazine Derivatives: Multitarget Inhibition, Structure–Activity Relationship, Molecular Docking, and ADMET Analysis

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dc.contributor.authorAlishba
dc.contributor.authorAli, Irfan
dc.contributor.authorHameed, Shehryar
dc.contributor.authorKhan, Khalid Mohammed
dc.contributor.authorSalar, Uzma
dc.contributor.authorTaha, Muhammad
dc.contributor.authorSadeghian, Nastaran
dc.contributor.authorTaslimi, Parham
dc.contributor.authorTuzun, Burak
dc.contributor.authorÖzerkan, Dilşad
dc.contributor.authorDedeakayogullari, Huri
dc.contributor.authorUlukaya, Engin
dc.date.accessioned2026-01-04T20:57:54Z
dc.date.issued2024-10-01
dc.description.abstractAbstract A series of benzothiazine derivatives ( 1 – 17 ) were synthesized via an intermolecular cyclocondensation reaction involving 2‐aminothiophenol ( i ) and substituted phenacyl bromide ( ii ). Structural elucidation of these synthetic derivatives utilized EI–MS, HR‐EIMS, 1 H NMR, and 13 C NMR spectroscopic techniques. The synthesized analogs were evaluated against key enzyme targets (acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and α‐glucosidase (α‐Glu)) and tested for cytotoxicity against various cancer cell lines. Six compounds were selected based on their inhibition profiles, exhibiting significant inhibitory potential against enzymes. In silico studies corroborated the observed inhibitory activities, aligning closely with experimental outcomes. Additionally, an ADME/T study provided insights into pharmacokinetic and safety profiles, identifying promising candidates for future drug development efforts.
dc.description.urihttps://doi.org/10.1002/slct.202404087
dc.description.urihttps://hdl.handle.net/20.500.12418/35648
dc.description.urihttps://hdl.handle.net/11772/19834
dc.description.urihttps://aperta.ulakbim.gov.tr/record/283137
dc.identifier.doi10.1002/slct.202404087
dc.identifier.eissn2365-6549
dc.identifier.issn2365-6549
dc.identifier.openairedoi_dedup___::f3abdfa6e99f77c98caeaad99b19906e
dc.identifier.orcid0000-0001-8337-4021
dc.identifier.scopus2-s2.0-85206248072
dc.identifier.urihttps://hdl.handle.net/20.500.12597/42155
dc.identifier.volume9
dc.language.isoeng
dc.publisherWiley
dc.relation.ispartofChemistrySelect
dc.rightsOPEN
dc.subjectSynthesis
dc.subjectDiabetes
dc.subjectAlzheimer's disease
dc.subjectAlzheimer's Disease
dc.subjectADME/T
dc.subjectAdme/T
dc.subjectCancer
dc.titleExploring Benzo[ b ][1,4]Thiazine Derivatives: Multitarget Inhibition, Structure–Activity Relationship, Molecular Docking, and ADMET Analysis
dc.typeArticle
dspace.entity.typePublication
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