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• MakaleAçık Erişim2024Scopus SJRQ3/r/kostu/10452
  De novo Drug Design to Suppress Coronavirus RNA-Glycoprotein via PNA-Calcitonin

  Agar, Soykan; Akkurt, Barbaros; Alparslan, Levent

  De novo drug design has been studied utilizing the organic chemical structures of Salmon Calcitonin 9-19 and Peptide Nucleic Acid (PNA) to suppress Coronavirus Ribonucleic Acid (RNA)-Glycoprotein complex. PNA has a polyamide backbone and thymine pendant groups to bind and selectively inhibit adenine domains of the RNA-Glycoprotein complex. While doing so, molecular docking and molecular dynamics studies revealed that there is great inhibition docking energy (-12.1 kcal/mol) with significantly good inhibition constant (124.1 µM) values confirming the efficient nucleotide-specific silencing of Coronavirus RNA-Glycoprotein complex.

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  AtıfScopus1·OpenAlex3·TR Dizin2

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