1 Ocak 2022 Dergi makalesi Açık Erişim

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

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  <identifier identifierType="URL">https://aperta.ulakbim.gov.tr/record/254415</identifier>
  <creators>
    <creator>
      <creatorName>Kurter, Hasan</creatorName>
      <givenName>Hasan</givenName>
      <familyName>Kurter</familyName>
      <affiliation>Dokuz Eylul Univ, Inst Hlth Sci, Dept Translat Oncol, Izmir, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Mert-Ozupek, Nazli</creatorName>
      <givenName>Nazli</givenName>
      <familyName>Mert-Ozupek</familyName>
      <affiliation>Dokuz Eylul Univ, Inst Hlth Sci, Dept Basic Oncol, Izmir, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Ellidokuz, Hulya</creatorName>
      <givenName>Hulya</givenName>
      <familyName>Ellidokuz</familyName>
      <affiliation>Dokuz Eylul Univ, Inst Oncol, Dept Prevent Oncol, Izmir, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Calibasi-Kocal, Gizem</creatorName>
      <givenName>Gizem</givenName>
      <familyName>Calibasi-Kocal</familyName>
      <affiliation>Dokuz Eylul Univ, Inst Oncol, Dept Translat Oncol, Izmir, Turkey</affiliation>
    </creator>
  </creators>
  <titles>
    <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</title>
  </titles>
  <publisher>Aperta</publisher>
  <publicationYear>2022</publicationYear>
  <dates>
    <date dateType="Issued">2022-01-01</date>
  </dates>
  <resourceType resourceTypeGeneral="Text">Journal article</resourceType>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://aperta.ulakbim.gov.tr/record/254415</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsIdenticalTo">10.1097/CAD.0000000000001297</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="http://www.opendefinition.org/licenses/cc-by">Creative Commons Attribution</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">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.</description>
  </descriptions>
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