The Inhibition Mechanism of Pancreatic DuctalAdenocarcinoma via LXR Receptors: A Multifaceted Approach Integrating Molecular Docking, Molecular Dynamics and Post-MD InterMolecular Contact Analysis

Basit Öğe Kaydı
dc.contributor.authorAgar, S.
dc.contributor.authorAkkurt, B.
dc.contributor.authorUlukaya, E.
dc.date.accessioned2024-05-19T14:33:25Z
dc.date.available2024-05-19T14:33:25Z
dc.date.issued2023
dc.departmentİstinye Üniversitesien_US
dc.description.abstractObjective: Pancreatic ductal adenocarcinoma (PDAC) has an unfavorable outlook due to its aggressive characteristics, delayed diagnosis, and limited effective treatment options for advanced stages of the disease. The significant mortality rate has prompted investigations into additional factors that could aid in managing this type of cancer. Liver X receptors, specifically LXR? and LXR?, are nuclear receptors that oversee the expression of genes related to cholesterol, glucose, lipid metabolism, and inflammatory responses. LXRs have also emerged as potential targets for addressing PDAC, and recent findings have demonstrated that LXR ligands can impede cell proliferation in various cancer forms, notably pancreatic cancer. This comprehensive computational research study involving oncological in silico mechanism discovery explored inhibitory ligands for Liver X receptors (LXR? and LXR?), which are believed to have prognostic significance in PDAC. Methods: The study utilized Baicalein, Beta-Sitosterol, Polydatin ligands in molecular docking and dynamics and post-molecular Hydrogen bonding contact analyses dynamics to characterize receptor inhibition. Result: The outcomes suggest that Baicalein exhibits versatile inhibitory effects on both receptors, while Beta-Sitosterol emerges as a highly effective inhibitor of LXR?. Conclusion: Further in vitro and in vivo investigations will be beneficial and would shed light onto the mechanism to decipher the suppression of PDAC evaluating the potential of Baicalein, Beta-Sitosterol, Polydatin natural ligand compounds. © (2023), (Asian Pacific Organization for Cancer Prevention). All Rights Reserved.en_US
dc.description.sponsorshipThis study has been funded by ISUMKAM (Istinye University Molecular Cancer Research Center) at Istinye University under the oncology & medical biochemistry team of Prof. Engin Ulukaya (M.D. Ph.D.).en_US
dc.identifier.doi10.31557/APJCP.2023.24.12.4103
dc.identifier.endpage4109en_US
dc.identifier.issn1513-7368
dc.identifier.issue12en_US
dc.identifier.pmid38156844en_US
dc.identifier.scopus2-s2.0-85181414184en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage4103en_US
dc.identifier.urihttps://doi.org/10.31557/APJCP.2023.24.12.4103
dc.identifier.urihttps://hdl.handle.net/20.500.12713/4223
dc.identifier.volume24en_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherAsian Pacific Organization for Cancer Preventionen_US
dc.relation.ispartofAsian Pacific Journal of Cancer Preventionen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.snmz20240519_kaen_US
dc.subjectBaicaleinen_US
dc.subjectBeta-Sitosterolen_US
dc.subjectİn Silico Studiesen_US
dc.subjectLxren_US
dc.subjectMolecular Dynamicsen_US
dc.subjectPolydatinen_US
dc.titleThe Inhibition Mechanism of Pancreatic DuctalAdenocarcinoma via LXR Receptors: A Multifaceted Approach Integrating Molecular Docking, Molecular Dynamics and Post-MD InterMolecular Contact Analysisen_US
dc.typeArticleen_US

Dosyalar

Koleksiyon

Scopus İndeksli Yayınlar Koleksiyonu
PubMed İndeksli Yayınlar Koleksiyonu