Development of tripeptide-cyclotriphosphazene derivatives: In vitro cytotoxicity, genotoxicity studies and molecular docking analysis within ovarian and prostate cancer cell line receptors

Basit Öğe Kaydı
dc.contributor.authorKaplan, Alpaslan
dc.contributor.authorCaliskan, Eray
dc.contributor.authorCapan, Irfan
dc.contributor.authorTekin, Suat
dc.contributor.authorHassan, Mohammad N.
dc.contributor.authorQaoud, Mohammed T.
dc.contributor.authorKoran, Kenan
dc.date.accessioned2026-04-04T13:34:51Z
dc.date.available2026-04-04T13:34:51Z
dc.date.issued2024
dc.departmentİnönü Üniversitesi
dc.description.abstractPeptide-phosphazene compounds are important compounds of growing interest in biomedical research and have potential therapeutic effects. The tripeptide-cyclotriphosphazenes conjugates were synthesized and analyzed for their molecular docking analysis, visualizing their binding profiles within various cancer cell line receptors and tested in vitro cytotoxic and genotoxic properties. Determining in vitro cytotoxic studies of obtained compounds displayed cytotoxic effect against two selected human cancer cell lines, including ovarian (A2780) and prostate (PC-3), cancer cells. The compound DTAP demonstrated significantly higher efficacy at 100 mu M in the PC-3 cancer cell line compared to the reference drug docetaxel at 50 mu M. Among the tripeptide-phosphazene conjugtates, DTGG demonstrates the most promising anticancer activity with a logIC50 of 1.23 mu M, forming five hydrogen bonds and a favorable salt bridge interaction, along with several hydrophobic interactions, thereby stabilizing its binding within the human ovarian tumor domain based on molecular docking analysis. The derivative DTGP emerges as the most potent among the DTG derivatives, achieving a Delta G model value of -108 kcal/ mol, primarily due to a lc-cationic interaction with the LYS204 amino acid in chain C, which significantly enhances its binding affinity. Additionally, DNA damage studies on human ovarian and prostate cancer cell lines determined that cell death due to DNA damage was the basis of the decrease in cell viability. These results support the evaluation of the compounds as potential drug candidates.
dc.description.sponsorshipScientific and Technological Research Council of Turkey (TUBITAK) [118Z286]; TUBITAK
dc.description.sponsorshipThis study was supported by the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No. 118Z286. We would like to thank TUBITAK for its support to the project. This work was produced from Alpaslan Kaplan's PhD thesis.
dc.identifier.doi10.1016/j.poly.2024.117261
dc.identifier.issn0277-5387
dc.identifier.issn1873-3719
dc.identifier.orcid0000-0002-2218-7211
dc.identifier.scopus2-s2.0-85207004446
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1016/j.poly.2024.117261
dc.identifier.urihttps://hdl.handle.net/11616/109439
dc.identifier.volume264
dc.identifier.wosWOS:001344307000001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherPergamon-Elsevier Science Ltd
dc.relation.ispartofPolyhedron
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250329
dc.subjectCytotoxicity
dc.subjectCyclotriphosphazenes
dc.subjectGenotoxicity
dc.subjectPeptides
dc.subjectSynthesis
dc.titleDevelopment of tripeptide-cyclotriphosphazene derivatives: In vitro cytotoxicity, genotoxicity studies and molecular docking analysis within ovarian and prostate cancer cell line receptors
dc.typeArticle

Dosyalar

Koleksiyon

WoS İndeksli Yayınlar Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu