Evaluation of F-18 FDG radiopharmaceuticals through Molecular Docking and radiation effects

Basit Öğe Kaydı
dc.authoridOZGENC, EMRE/0000-0002-7586-8520
dc.authorscopusid55817552623
dc.authorscopusid55977661100
dc.authorscopusid56662137100
dc.authorscopusid42361184800
dc.authorscopusid56971207200
dc.authorscopusid57193830664
dc.authorscopusid57191693608
dc.authorwosidOZGENC, EMRE/AGN-7731-2022
dc.contributor.authorKilicoglu, Ozge
dc.contributor.authorSepay, Nayim
dc.contributor.authorOzgenc, Emre
dc.contributor.authorGundogdu, Evren
dc.contributor.authorKara, Umit
dc.contributor.authorAlomairy, Sultan
dc.contributor.authorAl-Buriahi, M. S.
dc.date.accessioned2024-08-25T18:37:11Z
dc.date.available2024-08-25T18:37:11Z
dc.date.issued2023
dc.departmentEge Üniversitesien_US
dc.description.abstractFluorodeoxyglucose (FDG), marked with the most used Positron Emission Tomography (PET) radiopharmaceutical Fluorine-18 (F-18), is a glucose analog and is taken to living cells through membrane glucose carriers. F18 FDG involvement in tissue is proportional to glucose use. In many cancers, there is increased glucose use due to increased gluten expression and hexokinase activity. F-18 FDG PET is a proven method for diagnosis, staging, re-staging, and evaluation of treatment response in oncology. The purpose of this study is to find the effect of ionizing radiation on proteins in the mechanism of action of FDG and determine to Molecular mechanisms of F18 FDG accumulation in metabolism. In the study, two different models were used together, the first method, the study was Molecular Docking method for modeling molecules deconstructed and the structure of FDG was energy minimized by utilizing the density functional theory, and the B3LYP functional was used with 6-311G basis set. The second method was the Monte Carlo method for modeling ionizing radiation interactive with the potential routes of FDG metabolism within the cell. It was determined that the Gibbs free energy (Delta G) change was compatible with the ionizing radiation factors for binding of FDG to the aphthous regions of Glucose-6-phosphate isomerase (G1), hexokinase (G2), and glucose transporter-1 (G3) were selected. In this study, the strong binding of FDG to protein influences the effect of radiation on the active site of enzymes. The G1 and G3 shown in the study interacted with only one charged amino acid FDG, and the absence of an aromatic residue around it can be considered among the results of this study as the cause of the low protective effect against ionizing radiation.en_US
dc.identifier.doi10.1016/j.apradiso.2022.110553
dc.identifier.issn0969-8043
dc.identifier.issn1872-9800
dc.identifier.pmid36401990en_US
dc.identifier.scopus2-s2.0-85141927266en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.urihttps://doi.org/10.1016/j.apradiso.2022.110553
dc.identifier.urihttps://hdl.handle.net/11454/100883
dc.identifier.volume191en_US
dc.identifier.wosWOS:000918347800005en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherPergamon-Elsevier Science Ltden_US
dc.relation.ispartofApplied Radiation and Isotopesen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.snmz20240825_Gen_US
dc.subjectFDGen_US
dc.subjectDockingen_US
dc.subjectMACen_US
dc.subjectMSPen_US
dc.subjectPRen_US
dc.subjectBioactive Glassesen_US
dc.subjectExpressionen_US
dc.subjectAccumulationen_US
dc.subjectMechanismsen_US
dc.subjectBehavioren_US
dc.subjectCanceren_US
dc.subjectPeten_US
dc.titleEvaluation of F-18 FDG radiopharmaceuticals through Molecular Docking and radiation effectsen_US
dc.typeArticleen_US

Dosyalar

Koleksiyon

WoS İndeksli Yayınlar Koleksiyonu
PubMed İndeksli Yayın Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu