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 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.
| Original language | English |
|---|---|
| Pages (from-to) | 623-632 |
| Number of pages | 10 |
| Journal | Journal of the Turkish Chemical Society, Section A: Chemistry |
| Volume | 11 |
| Issue number | 2 |
| DOIs | |
| Publication status | Published - 15 May 2024 |
Bibliographical note
Publisher Copyright:© 2024, Turkish Chemical Society. All rights reserved.
Keywords
- Coronavirus Glycoprotein
- Coronavirus RNA
- Hydrogen Contact Mapping
- Molecular Docking
- Molecular Dynamics
- Salmon Calcitonin
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