1 Ocak 2018 Dergi makalesi Açık Erişim

Timur, Selin Seda; Yalcin, Goezde; Cevik, Ozge; Andac, Cenk; Gursoy, R. Neslihan

DataCite XML

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  <identifier identifierType="URL">https://aperta.ulakbim.gov.tr/record/29735</identifier>
  <creators>
    <creator>
      <creatorName>Timur, Selin Seda</creatorName>
      <givenName>Selin Seda</givenName>
      <familyName>Timur</familyName>
      <affiliation>Hacettepe Univ, Dept Pharmaceut Technol, Fac Pharm, Ankara, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Yalcin, Goezde</creatorName>
      <givenName>Goezde</givenName>
      <familyName>Yalcin</familyName>
    </creator>
    <creator>
      <creatorName>Cevik, Ozge</creatorName>
      <givenName>Ozge</givenName>
      <familyName>Cevik</familyName>
    </creator>
    <creator>
      <creatorName>Andac, Cenk</creatorName>
      <givenName>Cenk</givenName>
      <familyName>Andac</familyName>
      <affiliation>Mevlana Univ, Sch Med, Dept Med Pharmacol, Konya, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Gursoy, R. Neslihan</creatorName>
      <givenName>R. Neslihan</givenName>
      <familyName>Gursoy</familyName>
      <affiliation>Hacettepe Univ, Dept Pharmaceut Technol, Fac Pharm, Ankara, Turkey</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Molecular Dynamics, Thermodynamic, And Mutational Binding Studies For Tumor-Specific Lyp-1 In Complex With P32</title>
  </titles>
  <publisher>Aperta</publisher>
  <publicationYear>2018</publicationYear>
  <dates>
    <date dateType="Issued">2018-01-01</date>
  </dates>
  <resourceType resourceTypeGeneral="Text">Journal article</resourceType>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://aperta.ulakbim.gov.tr/record/29735</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsIdenticalTo">10.1080/07391102.2017.1313779</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">Recent studies in tumor homing peptides have shown the specificity of LyP-1 (CGNKRTRGC) to tumor lymphatics. In this present work, we evaluated the possible interactions between cyclic LyP-1 and its receptor, p32, with molecular dynamics and docking studies in order to lead the design of novel LyP-1 derivatives, which could bind to p32 more effectively and perform enhanced antitumor effect. The total binding enthalpy energies have been obtained by MM-PBSA thermodynamic computations and the favorability of p32.LyP-1 complex in water has been shown by explicit water MD computations. The last 30ns of molecular dynamics trajectory have shown the strong interaction of LyP-1 with the inner surface chains of p32, especially with chains B and C. ALA-SCAN mutagenesis studies have indicated the considerable influence of Asn3, Lys4, Arg5, and Arg7 amino acid residues on the specific binding of LyP-1. Within the knowledge of the critical role of p32 receptor in cancer cell metabolism, this study can lead to further developments in anticancer therapy by targeting p32 with LyP-1 derivatives as active targeting moiety. This data can also be applied for the development of new drug delivery systems in which LyP-1 can be used for its targeting and anticancer properties.</description>
  </descriptions>
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