Synthesis, in silico ADME, molecular docking and in vitro cytotoxicity evaluation of stilbene linked 1,2,3-triazoles

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dc.authoridKUMAR, SUJEET/0000-0002-0833-158X
dc.authoridDAS, ARNIKA/0000-0001-6196-5074
dc.authoridkarki, subhas s/0000-0002-5599-3594
dc.authoridSchols, Dominique/0000-0003-3256-5850
dc.authoridTAHTACI, HAKAN/0000-0002-1557-6315
dc.contributor.authorDas, Arnika
dc.contributor.authorKumar, Sujeet
dc.contributor.authorPersoons, Leentje
dc.contributor.authorDaelemans, Dirk
dc.contributor.authorSchols, Dominique
dc.contributor.authorAlici, Hakan
dc.contributor.authorTahtaci, Hakan
dc.date.accessioned2024-09-29T15:57:14Z
dc.date.available2024-09-29T15:57:14Z
dc.date.issued2021
dc.departmentKarabük Üniversitesien_US
dc.description.abstractSeries of (E)-1-benzyl-4-((4-styrylphenoxy)methyl)-1H-1,2,3-triazoles 7a-x were obtained by Wittig reaction between 4-((1-benzyl-1H-1,2,3-triazol-4-yl)methoxy)benzaldehydes 5a-d and benzyl triphenyl phosphonium halides 6a-f in benzene. The structures of the synthesized compounds were confirmed by FTIR, NMR (H-1 and C-13 NMR)spectroscopy, and mass spectrometry. All synthesized compounds were screened for their cytotoxic activity against human cancer cell lines including pancreatic carcinoma, colorectal carcinoma, lung carcinoma, and leukemias such as acute lymphoblastic, chronic myeloid, and non-Hodgkinson lymphoma cell lines. In vitro cytotoxicity data showed that compounds 7c, 7e, 7h, 7j, 7k, 7r, and 7w were moderately cytotoxic (11.6 -19.3 mu M) against the selected cancer cell lines. These cytotoxicity findings were supported using molecular docking studies of the compounds against 1TUB receptor. The drug-likeness properties of the compounds evaluated by in silico ADME analyses. Resveratrol linked 1,2,3-triazoles were more sensitive towards human carcinoma cell lines but least sensitive towards leukemia and lymphoma cell lines.en_US
dc.description.sponsorshipFederal funds from the Division of Microbiology and Infectious Diseases, National Institute of Allergy and Infectious Diseases, National Institutes of Health, Department of Health and Human Services [75N93019D00005]en_US
dc.description.sponsorshipThis work was supported by Federal funds from the Division of Microbiology and Infectious Diseases, National Institute of Allergy and Infectious Diseases, National Institutes of Health, Department of Health and Human Services, under Contract No. 75N93019D00005.en_US
dc.identifier.doi10.1016/j.heliyon.2020.e05893
dc.identifier.issn2405-8440
dc.identifier.issue1en_US
dc.identifier.pmid33553718en_US
dc.identifier.scopus2-s2.0-85099924057en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.urihttps://doi.org/10.1016/j.heliyon.2020.e05893
dc.identifier.urihttps://hdl.handle.net/20.500.14619/4694
dc.identifier.volume7en_US
dc.identifier.wosWOS:000618043400006en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherElsevier Sci Ltden_US
dc.relation.ispartofHeliyonen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectWittig reactionen_US
dc.subject1,2,3-Triazoleen_US
dc.subjectCytotoxicityen_US
dc.subjectADMEen_US
dc.subjectMolecular dockingen_US
dc.titleSynthesis, in silico ADME, molecular docking and in vitro cytotoxicity evaluation of stilbene linked 1,2,3-triazolesen_US
dc.typeArticleen_US

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