1 Ocak 2022 Dergi makalesi Açık Erişim

Kurter, Hasan; Mert-Ozupek, Nazli; Ellidokuz, Hulya; Calibasi-Kocal, Gizem

Dublin Core

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  <dc:creator>Kurter, Hasan</dc:creator>
  <dc:creator>Mert-Ozupek, Nazli</dc:creator>
  <dc:creator>Ellidokuz, Hulya</dc:creator>
  <dc:creator>Calibasi-Kocal, Gizem</dc:creator>
  <dc:date>2022-01-01</dc:date>
  <dc:description>Background The aim of the study was in-silico drug-likeness analysis, absorption, distribution, metabolism, and excretion (ADME) properties, and molecular docking studies of anthocyanins as natural anticancer compounds against acting receptor-like kinase 5 (ALK5) receptor. Transforming growth factor-beta (TGF-beta) plays an essential role in various cellular processes. Increased expression of TGF-beta and its receptor TGF beta R-I (i.e. ALK5) have been associated with poor prognosis in cancer patients. Methods The drug-likeness activity of anthocyanins was performed using SwissADME tool. Molecular docking studies were carried out by using the Autodock Vina 1.5.6 tool. Results The results revealed that cyanidin-3-arabinoside (C3A), pelargonidin-3-glucoside (P3G), and peonidin-3-arabinoside (P3A) were able to use both Lipinski's rule of five and Ghose variations. The binding energies of C3A, P3G, and P3A against ALK5 were found as -8.0, -8.3, and -8.4 kcal mol(-1), respectively. Conclusion These selected anthocyanins have shown higher binding energies than known inhibitors to the ALK5 receptor. Further in-vitro and in-vivo studies were strongly recommended to clarify the whole mechanism.</dc:description>
  <dc:identifier>https://aperta.ulakbim.gov.trrecord/254415</dc:identifier>
  <dc:identifier>oai:aperta.ulakbim.gov.tr:254415</dc:identifier>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>http://www.opendefinition.org/licenses/cc-by</dc:rights>
  <dc:source>ANTI-CANCER DRUGS 33(6) 517-522</dc:source>
  <dc:title>In-silico drug-likeness analysis, ADME properties, and molecular docking studies of cyanidin-3-arabinoside, pelargonidin-3-glucoside, and peonidin-3-arabinoside as natural anticancer compounds against acting receptor-like kinase 5 receptor</dc:title>
  <dc:type>info:eu-repo/semantics/article</dc:type>
  <dc:type>publication-article</dc:type>
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