Novel oxalamide derivatives for COXs expression and breast cancer: design, synthesis, biological evaluation, and docking studies

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dc.contributor.authorKuzu, Burak
dc.contributor.authorHepokur, Ceylan
dc.contributor.authorAlgul, Oztekin
dc.date.accessioned2024-10-26T18:09:25Z
dc.date.available2024-10-26T18:09:25Z
dc.date.issued2023
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractIn the present study, new oxalamide-based compounds were designed from thalidomide and synthesized easily and with high yields (from 69% up to 93%) by a two-step method. The antiproliferative effects of synthesized 6a-d and 7a-d compounds on (ER+) MCF-7 and (ER-) MDA-MB-231 breast cancer cell line and human fibroblast WI-38 healthy cell line were investigated by the MTT method. The results showed that compound 7d was the most potent candidate against both MCF-7 and MDA-MB-231 cell lines with IC50 = 4.72 & mu;M and 6.37 & mu;M, respectively. To investigate whether antiproliferative effect of the compounds on breast cancer cell lines is dependent on COXs, expressions of COX-1/2 on the MCF-7 cell line were investigated by the Western-Blot technique. Among synthesized compounds, compound 7d increased the expression of both COX-1 and COX-2. The inhibition potential of compounds on COX-1/2 enzymes was investigated by molecular docking compared to inhibitor co-ligand celecoxib in crystal structures of COX-1 (PDB ID: 3KK6) and COX-2 (PDB ID: 3LN1). Docking results indeed showed that compound 7d had a higher binding affinity for both COX-1 and COX-2 active sites. Consequently, the novel oxalamide-based compounds presented here may be important candidate molecules for the development of new COX-dependent antiproliferative agents.& COPY;2023 ACG Publication. All right reserved.
dc.description.sponsorshipBAP Project of Mersin University [2019-3-TP3-3806]; Van Yuzuncu Yil University, Scientific Research Projects (BAP) [TYD-2022-9949]
dc.description.sponsorshipThis study was financially supported by 2019-3-TP3-3806 BAP Project of Mersin University and partially supported by Van Yuzuncu Yil University, Scientific Research Projects (BAP, Project code: TYD-2022-9949) .
dc.identifier.doi10.25135/acg.oc.154.2306.2820
dc.identifier.endpage165
dc.identifier.issn1307-6175
dc.identifier.issue3
dc.identifier.scopus2-s2.0-85174224479
dc.identifier.scopusqualityQ4
dc.identifier.startpage152
dc.identifier.urihttps://doi.org/10.25135/acg.oc.154.2306.2820
dc.identifier.urihttps://hdl.handle.net/20.500.12418/30090
dc.identifier.volume16
dc.identifier.wosWOS:001050914500001
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherAcg Publications
dc.relation.ispartofOrganic Communications
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectOxalamides
dc.subjectantiproliferation
dc.subjectwestern blotting
dc.subjectCOXs expression
dc.subjectmolecular docking
dc.titleNovel oxalamide derivatives for COXs expression and breast cancer: design, synthesis, biological evaluation, and docking studies
dc.typeArticle

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