Novel ??hydroxy ketones: Synthesis, spectroscopic characterization, molecular docking, and anticancer activity studies

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dc.authorid0000-0002-1423-0435
dc.contributor.authorBaşpınar Küçük, Hatice
dc.contributor.authorKantürk, Gökhan
dc.contributor.authorYerlikaya, Şerife
dc.contributor.authorYıldız, Tülay
dc.contributor.authorŞentürk, Ahmet Mesut
dc.contributor.authorGüzel, Mustafa
dc.date.accessioned2021-11-05T06:00:06Z
dc.date.available2021-11-05T06:00:06Z
dc.date.issued2022
dc.departmentİstanbul Medipol Üniversitesi, Sağlık Hizmetleri Meslek Yüksekokulu, Tıbbi Laboratuvar Teknikleri Ana Bilim Dalı
dc.departmentİstanbul Medipol Üniversitesi, Rektörlük, Rejeneratif ve Restoratif Tıp Araştırmaları Merkezi (REMER)
dc.departmentİstanbul Medipol Üniversitesi, Rektörlük, Sağlık Bilim ve Teknolojileri Araştırma Enstitüsü
dc.departmentİstanbul Medipol Üniversitesi, Uluslararası Tıp Fakültesi, Dahili Tıp Bilimleri Bölümü, Tıbbi Farmakoloji Ana Bilim Dalı
dc.description.abstractIn this study, a series of novel ??hydroxy ketone derivatives 3a-o were designed, synthesized, and evaluated for their anticancer activity. The structure of these compounds were characterized by IR, 1H and 13C NMR, mass spectrometry and elemental analysis methods. All the synthesized compounds were screened for anticancer activity against MCF-7 and U87 cells. Among them, compound 3l was appeared to be the most potent compound on both cancer cells; and IC50 dose was determined as 145 µM for MCF-7 cells and 6,6 µM for U87 cells. DNA ladder and Annexin V apoptotic marker tests were used and as a result, 3l caused the initiation of apoptosis on U87 cells. VDAC protein expression increased dramatically after U87 glioblastoma brain cancer cells were treated with compound 3l Additionally, the molecular modeling of these compounds was studied in FLT3 receptor, Estrogen receptor, and PARP2 receptor for the treatment of Acute Myeloid Leukemia (AML), breast cancer, and Glioblastoma (GBM) respectively. Their binding motifs and drug-like properties were investigated, and the results are highlighted in the discussion. Based on the results, compound 3l may have a potential drug candidate profile that can reverse the drug resistance profile.
dc.identifier.citationBaşpınar Küçük, H., Kantürk, G., Yerlikaya, Ş., Yıldız, T., Şentürk, A. M. ve Güzel, M. (2022). Novel ??hydroxy ketones: Synthesis, spectroscopic characterization, molecular docking, and anticancer activity studies. Journal of Molecular Structure, 1250. https://dx.doi.org/10.1016/j.molstruc.2021.131772
dc.identifier.doi10.1016/j.molstruc.2021.131772
dc.identifier.issn0022-2860
dc.identifier.scopus2-s2.0-85118193306
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://dx.doi.org/10.1016/j.molstruc.2021.131772
dc.identifier.urihttps://hdl.handle.net/20.500.12511/8564
dc.identifier.volume1250
dc.identifier.wos000718046000013en_US
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier B. V.
dc.relation.ispartofJournal of Molecular Structureen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/embargoedAccess
dc.subjectAldol Reaction
dc.subjectAnticancer Activity
dc.subjectDocking
dc.subjectKeto Alcohol
dc.subjectMolecular Modeling Studies
dc.subject?-Hydroxy Ketones
dc.titleNovel ??hydroxy ketones: Synthesis, spectroscopic characterization, molecular docking, and anticancer activity studies
dc.title.alternativeNovel beta-hydroxy ketones: Synthesis, spectroscopic characterization, molecular docking, and anticancer activity studies
dc.typeArticle

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