Agar, SoykanAkkurt, BarbarosAlparslan, Levent2025-04-182025-04-182024Agar, S., Akkurt, B., & Alparslan, L. De novo Drug Design to Suppress Coronavirus RNA-Glycoprotein via PNA-Calcitonin. Journal of the Turkish Chemical Society Section A: Chemistry, 11(2), 623-632.21490120http://dx.doi.org/10.18596/jotcsa.1406290https://hdl.handle.net/20.500.12713/6421De 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.eninfo:eu-repo/semantics/openAccessCoronavirus GlycoproteinCoronavirus RNAHydrogen Contact MappingMolecular DockingMolecular DynamicsSalmon CalcitoninArticle1126236322-s2.0-8519324845310.18596/jotcsa.1406290Q3