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Exploring Benzo[b][1,4]Thiazine Derivatives: Multitarget Inhibition, Structure–Activity Relationship, Molecular Docking, and ADMET Analysis     
Yazarlar
Alishba A
İrfan Ali
Shehryar Hameed
Khalid Mohammed Khan
Uzma Salar
Muhammed Taha
Nastaran Sadeghıan
Bartın Üniversitesi, Türkiye
Parham Taslımı
Bartın Üniversitesi, Türkiye
Burak Tüzün
Sivas Cumhuriyet Üniversitesi, Türkiye
Doç. Dr. Dilşad ÖZERKAN
Kastamonu Üniversitesi, Türkiye
Huri Dedeakayoğulları
Biruni Üniversitesi, Türkiye
Engin Ulukaya
İstinye Üniversitesi, Türkiye
Özet
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, 1H NMR, and 13C 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.
Anahtar Kelimeler
ADME/T | Alzheimer's disease | Cancer | Diabetes | Synthesis
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı ChemistrySelect
Dergi ISSN 2365-6549
Dergi Tarandığı Indeksler SCI-Expanded
Dergi Grubu Q3
Makale Dili Türkçe
Basım Tarihi 10-2024
Cilt No 9
Sayı 38
Doi Numarası 10.1002/slct.202404087
Makale Linki http://dx.doi.org/10.1002/slct.202404087