- Journal of the Turkish Chemical Society Section A: Chemistry
- Cilt: 11 Sayı: 2
- De novo Drug Design to Suppress Coronavirus RNA-Glycoprotein via PNA-Calcitonin
De novo Drug Design to Suppress Coronavirus RNA-Glycoprotein via PNA-Calcitonin
Authors : Soykan Agar, Barbaros Akkurt, Levent Alparslan
Pages : 623-632
Doi:10.18596/jotcsa.1406290
View : 59 | Download : 91
Publication Date : 2024-05-15
Article Type : Research
Abstract :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 selectively bind and 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.Keywords : Salmon Calcitonin, Coronavirus RNA, Coronavirus Glycoprotein, Molecular Docking, Molecular Dynamics, Hydrogen Contact Mapping