De novo drug design to suppress coronavirus RNA-Glycoprotein via PNA-Calcitonin
dc.authorid | Levent Alparslan /0000-0003-0113-6850 | |
dc.authorid | Barbaros Akkurt /0000-0003-4066-3004 | |
dc.authorid | Soykan Agar /0000-0002-9870-6882 | |
dc.authorwosid | Levent Alparslan /AAP-3253-2020 | |
dc.contributor.author | Alparslan, Levent | |
dc.contributor.author | Akkurt, Barbaros | |
dc.contributor.author | Agar, Soykan | |
dc.date.accessioned | 2025-04-18T09:28:47Z | |
dc.date.available | 2025-04-18T09:28:47Z | |
dc.date.issued | 15 Mayıs 2024 | |
dc.department | İstinye Üniversitesi, Eczacılık Fakültesi, Eczacılık Teknolojisi Bölümü | |
dc.description.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. | |
dc.identifier.citation | Agar, S., Akkurt, B., & Alparslan, L. (2024). 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. | |
dc.identifier.doi | 10.18596/jotcsa.1406290 | |
dc.identifier.endpage | 632 | |
dc.identifier.issue | 2 | |
dc.identifier.startpage | 623 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12713/6802 | |
dc.identifier.volume | 11 | |
dc.institutionauthor | Alparslan, Levent | |
dc.institutionauthorid | Levent Alparslan /0000-0003-0113-6850 | |
dc.language.iso | en | |
dc.publisher | Turkish Chemical Society | |
dc.relation.ispartof | Journal Of The Turkısh Chemical Society Section A: Chemistry | |
dc.relation.publicationcategory | Makale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanı | |
dc.rights | info:eu-repo/semantics/openAccess | |
dc.subject | Salmon Calcitonin | |
dc.subject | Coronavirus RNA | |
dc.subject | Coronavirus Glycoprotein | |
dc.subject | Molecular Docking | |
dc.subject | Molecular Dynamics | |
dc.subject | Hydrogen Contact Mapping | |
dc.title | De novo drug design to suppress coronavirus RNA-Glycoprotein via PNA-Calcitonin | |
dc.type | Article |
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