Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives

Basit Öğe Kaydı
dc.contributor.authorGüney, Elif
dc.contributor.authorSayin, Koray
dc.date.accessioned2024-10-26T17:52:56Z
dc.date.available2024-10-26T17:52:56Z
dc.date.issued2023
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractCancer is one of the most important diseases threatening human health today, and gastric cancer is among the top five in terms of mortality rate. Synthesized eight isoxazole derivatives were investigated in this study as computationally. Structural properties of them were examined in detail and chemical/electronic properties of these compounds are investigated using contour plot of HOMO/LUMO and molecular electrostatic potential (MEP) map. Anticancer properties of these compounds are investigated using molecular docking calculations against H. Pylori and VEGFR2. Additionally, the pharmacokinetics and pharmacology properties are investigated using ADME and p450 analyses Finally, it was found that compound 5a is the best inhibitor candidate. © (2023). All Rights Reserved.
dc.description.sponsorshipScientifc Research Project Fund of Sivas Cumhuriyet University, (RGD-036, RGD020)
dc.identifier.doi10.33435/TCANDTC.1270359
dc.identifier.endpage41
dc.identifier.issn2587-1722
dc.identifier.issue3
dc.identifier.scopus2-s2.0-85173916964
dc.identifier.scopusqualityQ3
dc.identifier.startpage30
dc.identifier.urihttps://doi.org/10.33435/TCANDTC.1270359
dc.identifier.urihttps://hdl.handle.net/20.500.12418/26583
dc.identifier.volume7
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherDergiPark
dc.relation.ispartofTurkish Computational and Theoretical Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectADME; Gastric Cancer; H. Pylori; Isoxazole; VEGFR2
dc.titleStructural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives
dc.typeArticle

Dosyalar

Koleksiyon

Scopus İndeksli Yayınlar Koleksiyonu