Design, synthesis and docking studies of benzimidazole derivatives as potential EGFR inhibitors

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dc.authorid0000-0002-3369-8690
dc.contributor.authorÇelik, İsmail
dc.contributor.authorAyhan Kılcıgil, Gülgün
dc.contributor.authorGüven, Berna
dc.contributor.authorKara, Zümra
dc.contributor.authorGürkan Alp, A. Selen
dc.contributor.authorKarayel, Arzu
dc.contributor.authorOnay Beşikçi, Arzu
dc.date.accessioned2019-05-10T09:39:44Z
dc.date.available2019-05-10T09:39:44Z
dc.date.issued2019
dc.departmentHitit Üniversitesi, Fen Edebiyat Fakültesi, Fizik Bölümü
dc.description.abstractIn this study, a series of benzimidazoles bearing thiosemicarbazide chain or triazole and thiadiazole rings were designed and synthesized. Crystal and molecular structure of the compound 5c has been characterized by single crystal X-ray crystallographic analysis. EGFR kinase inhibitory potencies of synthesized compounds were compared with erlotinib in vitro and most of the compounds exhibited significant activities. Cell culture studies were also carried out for selected compounds and 12b was found to be the most active compound. To understand the binding mode of synthesized benzimidazoles, three compounds (12b, 16, 16c) were selected and placed on the binding site of EGFR tyrosine kinase based on their kinase inhibitor potencies and cell culture studies. Docking study indicated that compound 12b showed two-hydrogen bonding interactions with residues of LYS721 and THR830 at the binding pocket. © 2019 Elsevier Masson SAS
dc.identifier.citationÇelik, İ., Ayhan Kılcıgil, G., Güven, B., Kara, Z., Gürkan Alp, A. S., Karayel, A., Onay Beşikçi, A. (2019). Design, synthesis and docking studies of benzimidazole derivatives as potential EGFR inhibitors. European Journal of Medicinal Chemistry, 173, 240-249.
dc.identifier.doi10.1016/j.ejmech.2019.04.012
dc.identifier.endpage249en_US
dc.identifier.issn0223-5234
dc.identifier.scopusqualityQ1
dc.identifier.startpage240en_US
dc.identifier.urihttps://doi.org/10.1016/j.ejmech.2019.04.012
dc.identifier.urihttps://hdl.handle.net/11491/765
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherElsevier Masson SAS
dc.relation.ispartofEuropean Journal of Medicinal Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectBenzimidazoleen_US
dc.subjectDockingen_US
dc.subjectEGFR Inhibitory Activityen_US
dc.subjectThiadiazoleen_US
dc.subjectThiosemicarbazideen_US
dc.subjectTriazoleen_US
dc.subjectX-Rayen_US
dc.titleDesign, synthesis and docking studies of benzimidazole derivatives as potential EGFR inhibitors
dc.typeArticle

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