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Synthesis, molecular modeling, anti-cancer and COX-1/2 inhibitory activities of novel thiazolidinones containing benzothiazole core

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dc.contributor.authorKULABAŞ, NECLA
dc.contributor.authorBİNGÖL ÖZAKPINAR, ÖZLEM
dc.contributor.authorKÜÇÜKGÜZEL, İLKAY
dc.contributor.authorsKULABAŞ N., Guven C. T., Duracik M., BİNGÖL ÖZAKPINAR Ö., Kucukguzel I.
dc.date.accessioned2024-04-04T13:17:44Z
dc.date.available2024-04-04T13:17:44Z
dc.date.issued2024-01-01
dc.description.abstractIn this study, new 1,3-thiazolidin-4-one derivatives containing arylmethylene groups in the 5-position were obtained from 6-(trifluoromethoxy)-1,3-benzo-thiazol-2-amine (riluzole). Synthesized compounds were characterized by spectral data and elemental analysis. In vitro, cytotoxic activities of the synthesized molecules were evaluated against the human lung cancer (A549) and human prostate cancer (PC-3) cell lines. Compounds were also tested on mouse embryonic fibroblast cells (NIH/3T3) to determine selectivity. Ten target compounds 3-12 were also screened for their COX-1 and COX-2 inhibitory activities. Of these compounds, 4 showed the highest COX-2 inhibition at 10 μM. Molecular docking calculations were performed to understand the binding interactions of compounds with COX-1 and COX-2 proteins. In silico studies of the tested compounds represented important binding modes that may be responsible for their anti-cancer activity via selective inhibition of the COX-2 enzyme. ADMET predictions were conducted to assess the drug-like properties of the novel compounds.
dc.identifier.citationKULABAŞ N., Guven C. T., Duracik M., BİNGÖL ÖZAKPINAR Ö., Kucukguzel I., "Synthesis, molecular modeling, anti-cancer and COX-1/2 inhibitory activities of novel thiazolidinones containing benzothiazole core", Bangladesh Journal of Pharmacology, cilt.19, sa.1, ss.1-12, 2024
dc.identifier.doi10.3329/bjp.v19i1.70297
dc.identifier.endpage12
dc.identifier.issn1991-007X
dc.identifier.issue1
dc.identifier.startpage1
dc.identifier.urihttps://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85188348663&origin=inward
dc.identifier.urihttps://hdl.handle.net/11424/296588
dc.identifier.volume19
dc.language.isoeng
dc.relation.ispartofBangladesh Journal of Pharmacology
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectTemel Eczacılık Bilimleri
dc.subjectEczacılık
dc.subjectYaşam Bilimleri
dc.subjectSağlık Bilimleri
dc.subjectTemel Bilimler
dc.subjectBasic Pharmaceutics Sciences
dc.subjectPharmacology and Therapeutics
dc.subjectLife Sciences
dc.subjectHealth Sciences
dc.subjectNatural Sciences
dc.subjectYaşam Bilimleri (LIFE)
dc.subjectFarmakoloji ve Toksikoloji
dc.subjectFARMAKOLOJİ VE ECZACILIK
dc.subjectLife Sciences (LIFE)
dc.subjectPHARMACOLOGY & TOXICOLOGY
dc.subjectPHARMACOLOGY & PHARMACY
dc.subjectFarmakoloji
dc.subjectPharmacology
dc.titleSynthesis, molecular modeling, anti-cancer and COX-1/2 inhibitory activities of novel thiazolidinones containing benzothiazole core
dc.typearticle
dspace.entity.typePublication
local.avesis.id534ddb81-5a2e-4801-870a-0aa64d2a32f0
local.indexed.atSCOPUS
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relation.isAuthorOfPublication39266c2c-11fd-48a6-8455-d3ea2f2956ed
relation.isAuthorOfPublication.latestForDiscovery0ec36ba9-248d-4929-8d15-5f417ba3f523

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