Design, Synthesis, in vitro Antiproliferative Activity, Binding Modeling of 1,2,4,-Triazoles as New Anti-Breast Cancer Agents

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dc.authoridŞekerci, Memet/0000-0002-7730-645X
dc.authoridSirajuddin, Muhammad/0000-0002-1147-1284
dc.authoridsirajuddin, Muhammad/0000-0002-1147-1284
dc.authoridSandal, Suleyman/0000-0002-8916-3329
dc.authoridHadda, Taibi Ben/0000-0002-5633-6203
dc.authoridTekin, Suat/0000-0002-2757-1802
dc.authorwosidŞekerci, Memet/AAB-6027-2022
dc.authorwosidSirajuddin, Muhammad/AAJ-6281-2021
dc.authorwosidSirajuddin, Muhammad/AAB-7542-2021
dc.authorwosidsirajuddin, Muhammad/F-4893-2012
dc.authorwosidTekin, Suat/IZD-9868-2023
dc.authorwosidTekin, Suat/AAG-1440-2021
dc.authorwosidSekerci, Memet/W-7894-2018
dc.contributor.authorGenc, Murat
dc.contributor.authorGenc, Zuhal Karagoz
dc.contributor.authorTekin, Suat
dc.contributor.authorSandal, Suleyman
dc.contributor.authorSirajuddin, Muhammad
dc.contributor.authorBen Hadda, Taibi
dc.contributor.authorSekerci, Memet
dc.date.accessioned2024-08-04T20:42:51Z
dc.date.available2024-08-04T20:42:51Z
dc.date.issued2016
dc.departmentİnönü Üniversitesien_US
dc.description.abstractThis article demonstrates the synthesis of 1,2,4-triazole derivatives and their applications in medicine particularly as anti-breast cancer agents which is a major issue of the present. The synthesized compounds were characterized by elemental analysis, FT-IR and NMR. DFT was used to study the quantum chemical calculations of geometries and vibrational wave numbers of 3-hydroxynaphthyl and p-tolyl substituted 1,2,4-triazoles in the ground state. The scaled harmonic vibrational frequencies obtained from the DFT method were compared with those of the FT-IR spectra and found good agreement. The synthesized 1,2,4-triazole-naphthyl hybrids were screened for the anticancer activity against MCF-7 breast cancer lines. Among them compounds 3 and 7 showed broad spectrum anticancer activity with IC50 values 9.7 mu M and 7.10 mu M, respectively and their activity is comparable to that of the standard drugs. The molecular model for binding between the compounds (1-8) and the active site of BRCA2 was obtained on the basis of the computational docking results and the structure-activity relationship.en_US
dc.description.sponsorshipAdiyaman University Research Foundation [FEFAAP/2012-0001]en_US
dc.description.sponsorshipWe are indebted to the Adiyaman University Research Foundation (FEFAAP/2012-0001) for financial support of this work.en_US
dc.identifier.doi10.17344/acsi.2016.2428
dc.identifier.endpage737en_US
dc.identifier.issn1318-0207
dc.identifier.issn1580-3155
dc.identifier.issue4en_US
dc.identifier.pmid28004087en_US
dc.identifier.scopus2-s2.0-85004097356en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage726en_US
dc.identifier.urihttps://doi.org/10.17344/acsi.2016.2428
dc.identifier.urihttps://hdl.handle.net/11616/97626
dc.identifier.volume63en_US
dc.identifier.wosWOS:000392743500006en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherSlovensko Kemijsko Drustvoen_US
dc.relation.ispartofActa Chimica Slovenicaen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subject1,2,4-triazolesen_US
dc.subjectDockingen_US
dc.subjectDFTen_US
dc.subjectPOM Analysisen_US
dc.subjectBreast canceren_US
dc.titleDesign, Synthesis, in vitro Antiproliferative Activity, Binding Modeling of 1,2,4,-Triazoles as New Anti-Breast Cancer Agentsen_US
dc.typeArticleen_US

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