Antiproliferative activity and molecular docking studies of new 4-oxothiazolidin-5-ylidene acetate derivatives containing guanylhydrazone moiety

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dc.authoridTAPERA, MICHAEL/0000-0001-9584-1731
dc.authoridAkkoc, Senem/0000-0002-1260-9425
dc.authoridKOPRU, Semiha/0000-0002-2269-6980
dc.authoridTUZUN, BURAK/0000-0002-0420-2043
dc.contributor.authorAl-Janabi, Ihab Adnan Salman
dc.contributor.authorYavuz, Sevtap Caglar
dc.contributor.authorKopru, Semiha
dc.contributor.authorTapera, Michael
dc.contributor.authorKekecmuhammed, Huseyin
dc.contributor.authorAkkoc, Senem
dc.contributor.authorTuzun, Burak
dc.date.accessioned2024-10-26T18:09:25Z
dc.date.available2024-10-26T18:09:25Z
dc.date.issued2022
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractA new series of 4-oxothiazolidin-5-ylidene acetates ( 1-16 ) containing guanylhydrazone moiety were designed and synthesized by using dimethyl acetylenedicarboxylate (DMAD) as a Michael acceptor. The structure of synthesized compounds was characterized by various spectral techniques including FTIR, H-1 NMR, C-13 NMR and elemental analysis. Synthesized compounds were evaluated for their antiproliferative activity against two human cancer cell lines, A549 (human lung carcinoma cell line) and MDA-MB-231 (human breast adenocarcinoma cell line). Some of these compounds exhibit good antiproliferative activity in both cell lines. For example, compounds 1, 4, 9, 10, 12 and 15 . Particularly, compounds 1, 9 and 10 showed the most potent activity against MDA-MB-231 cells with IC50 10.01, 7.72 and 9.61 mu M respectively which is comparable to that of standard drug cisplatin and ploxal-S. Additionally, compounds that exhibited good activity were further investigated for their cytotoxicity against human healthy cell line (Wl-38). It was deduced from the MTT results that these compounds (1, 4, 9, 10 and 12), which have toxic effects on cancer cells, showed selectivity on healthy cells. Furthermore, molecular docking studies reviewed the interaction between the most active compound 9 to Caspase 9 protein of breast cancer and human lung cancer cells protein. (c) 2022 Elsevier B.V. All rights reserved.
dc.description.sponsorshipErciyes University [FYL-2017-7626, FYL-2021-11122]; TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-infrastructure)
dc.description.sponsorshipThis work is supported by the Research Fund of the Erciyes University with project number of FYL-2017-7626, and FYL-2021-11122. The authors are also grateful to TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-infrastructure) for providing support to this research.
dc.identifier.doi10.1016/j.molstruc.2022.132627
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-85125129582
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2022.132627
dc.identifier.urihttps://hdl.handle.net/20.500.12418/30087
dc.identifier.volume1258
dc.identifier.wosWOS:000790004900012
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Molecular Structure
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectThiazolidine
dc.subjectGuanylhydrazone
dc.subjectAntiproliferative
dc.subjectMolecular docking
dc.titleAntiproliferative activity and molecular docking studies of new 4-oxothiazolidin-5-ylidene acetate derivatives containing guanylhydrazone moiety
dc.typeArticle

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