Novel thiadiazole-thiazole hybrids: synthesis, molecular docking, and cytotoxicity evaluation against liver cancer cell lines

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dc.contributor.authorAljohani, Ghadah F.
dc.contributor.authorAbolibda, Tariq Z.
dc.contributor.authorAlhilal, Mohammad
dc.contributor.authorAl-Humaidi, Jehan Y.
dc.contributor.authorAlhilal, Suzan
dc.contributor.authorAhmed, Hoda A.
dc.contributor.authorGomha, Sobhi M.
dc.date.accessioned2023-01-13T11:02:14Z
dc.date.available2023-01-13T11:02:14Z
dc.date.issued2022en_US
dc.departmentMAÜ, Fakülteler, Sağlık Bilimleri Fakültesi, Hemşirelik Bölümüen_US
dc.description.abstractOne of the worst diseases, cancer claims millions of lives each year throughout the world, necessitating the creation of novel treatments. In this study, we designed a novel series of 1,3,4-thiadiazoles through the reaction of 2-(4-methyl-2-(2-(1-phenylethylidene)hydrazineyl)thiazole-5-carbonyl)-N-phenylhydrazine-1-carbothioamide (3) with the proper hydrazonoyl halides. Using the MTT assay, the newly synthesized thiadiazoles' growth-inhibitory potential against the liver cancer cell line HepG2-1 was assessed. In comparison to the standard drug doxorubicin (IC50 = 0.72 ± 0.52 µM), the results showed that two compounds, 16b and 21 (IC50 = 0.69 ± 0.41 and 1.82 ± 0.94 µM, respectively) had promising anticancer activity. The structural activity relationship (SAR) was investigated. In addition, molecular docking analysis onto quinone oxidoreductase2 (NQO2) receptor (PDB: 4ZVM) was investigated against the potent compounds to examine the reliability of the in vitro results. The newly prepared thiadiazole-thiazole hybrids are therefore regarded as potent anticancer drugs.en_US
dc.identifier.citationAljohani, G. F., Abolibda, T. Z., Alhilal, M., Al-Humaidi, J. Y., Alhilal, S., Ahmed, H. A., & Gomha, S. M. (2022). Novel thiadiazole-thiazole hybrids: synthesis, molecular docking, and cytotoxicity evaluation against liver cancer cell lines. Journal of Taibah University for Science, 16(1), 1005-1015.en_US
dc.identifier.doi10.1080/16583655.2022.2135805en_US
dc.identifier.endpage1015en_US
dc.identifier.issue1en_US
dc.identifier.scopus2-s2.0-85140479915en_US
dc.identifier.scopusqualityN/Aen_US
dc.identifier.startpage1005en_US
dc.identifier.uris://doi.org/10.1080/16583655.2022.2135805
dc.identifier.urihttps://www.scopus.com/record/display.uri?eid=2-s2.0-85140479915&origin=SingleRecordEmailAlert&dgcid=raven_sc_affil_en_us_email&txGid=29b89baba70cee53341e886530bbfc08
dc.identifier.urihttps://hdl.handle.net/20.500.12514/3316
dc.identifier.volume16en_US
dc.identifier.wosWOS:000870869000001en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherTaylor & Francis Onlineen_US
dc.relation.ispartofJournal of Taibah University for Scienceen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subject1,3,4-thiadiazoles; 1,3-thiazoles; cytotoxicity evaluation; hydrazonoyl halides; molecular dockingen_US
dc.titleNovel thiadiazole-thiazole hybrids: synthesis, molecular docking, and cytotoxicity evaluation against liver cancer cell linesen_US
dc.typeArticleen_US

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