1 Ocak 2022 Dergi makalesi Açık Erişim

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

Citation Style Language JSON

{
  "DOI": "10.1097/CAD.0000000000001297", 
  "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.", 
  "author": [
    {
      "family": "Kurter", 
      "given": " Hasan"
    }, 
    {
      "family": "Mert-Ozupek", 
      "given": " Nazli"
    }, 
    {
      "family": "Ellidokuz", 
      "given": " Hulya"
    }, 
    {
      "family": "Calibasi-Kocal", 
      "given": " Gizem"
    }
  ], 
  "container_title": "ANTI-CANCER DRUGS", 
  "id": "254415", 
  "issue": "6", 
  "issued": {
    "date-parts": [
      [
        2022, 
        1, 
        1
      ]
    ]
  }, 
  "page": "517-522", 
  "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", 
  "type": "article-journal", 
  "volume": "33"
}