1 Ocak 2018 Dergi makalesi Açık Erişim

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

Citation Style Language JSON

{
  "DOI": "10.1080/07391102.2017.1313779", 
  "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.", 
  "author": [
    {
      "family": "Timur", 
      "given": " Selin Seda"
    }, 
    {
      "family": "Yalcin", 
      "given": " Goezde"
    }, 
    {
      "family": "Cevik", 
      "given": " Ozge"
    }, 
    {
      "family": "Andac", 
      "given": " Cenk"
    }, 
    {
      "family": "Gursoy", 
      "given": " R. Neslihan"
    }
  ], 
  "container_title": "JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS", 
  "id": "29735", 
  "issue": "5", 
  "issued": {
    "date-parts": [
      [
        2018, 
        1, 
        1
      ]
    ]
  }, 
  "page": "1134-1144", 
  "title": "Molecular dynamics, thermodynamic, and mutational binding studies for tumor-specific LyP-1 in complex with p32", 
  "type": "article-journal", 
  "volume": "36"
}