Chemical composition, cytotoxicity, and molecular docking analyses of Thuja orientalis extracts

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dc.authoridcetinkaya, serap/0000-0001-7372-1704
dc.authoridTUZUN, BURAK/0000-0002-0420-2043
dc.contributor.authorKapancik, Serkan
dc.contributor.authorCelik, Muhammed Safa
dc.contributor.authorDemiralp, Mustafa
dc.contributor.authorUnal, Kagan
dc.contributor.authorCetinkaya, Serap
dc.contributor.authorTuzun, Burak
dc.date.accessioned2024-10-26T18:05:48Z
dc.date.available2024-10-26T18:05:48Z
dc.date.issued2024
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractThere has been an increasing interest in the biologically active plant extracts. Studies still continue in order to discover novel components especially with antimicrobial activities to overcome the challenge of drug resistance and to ameliorate existing antibiotics. Three extract preparations, methanol, water, and chloroform, were made. Their chemical compositions were determined and compared. Extraction with water proved most fruitful as it contained forty-two active compounds. Cytotoxicity of these compounds was tested on MCF-7 and HT-29 cell lines and it was demonstrated that ethanol extracts were toxic. Molecular docking computations hinted that some of the compounds could target breast cancer proteins PDB ID, 1A52, and 1JNX and colorectal cancer proteins PDB ID, 1UWH, and 3RQ7). ADME/T calculations were made to examine the effects of Thuja orientalis extracts on human metabolism.
dc.description.sponsorshipSivas Cumhuriyet University Scientific Research Project Fund (CUBAP) [RGD-020]
dc.description.sponsorshipIn this study, the computer program obtained by Sivas Cumhuriyet University Scientific Research Project Fund (CUBAP) with the project number RGD-020 was used.
dc.identifier.doi10.1016/j.molstruc.2024.139279
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-85199278622
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2024.139279
dc.identifier.urihttps://hdl.handle.net/20.500.12418/29177
dc.identifier.volume1318
dc.identifier.wosWOS:001280000700001
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Molecular Structure
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectADME/T
dc.subjectGC-MS
dc.subjectExtract
dc.subjectCytotoxicity
dc.subjectMolecular docking
dc.subjectThuja sp
dc.titleChemical composition, cytotoxicity, and molecular docking analyses of Thuja orientalis extracts
dc.typeArticle

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