Aljohani, Ghadah F.Abolibda, Tariq Z.Alhilal, MohammadAl-Humaidi, Jehan Y.Alhilal, SuzanAhmed, Hoda A.Gomha, Sobhi M.2023-01-132023-01-132022Aljohani, 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.s://doi.org/10.1080/16583655.2022.2135805https://www.scopus.com/record/display.uri?eid=2-s2.0-85140479915&origin=SingleRecordEmailAlert&dgcid=raven_sc_affil_en_us_email&txGid=29b89baba70cee53341e886530bbfc08https://hdl.handle.net/20.500.12514/3316One 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.en10.1080/16583655.2022.2135805info:eu-repo/semantics/openAccess1,3,4-thiadiazoles; 1,3-thiazoles; cytotoxicity evaluation; hydrazonoyl halides; molecular dockingArticle16110051015Q2N/AWOS:0008708690000012-s2.0-85140479915