De novo drug design to suppress coronavirus RNA-Glycoprotein via PNA-Calcitonin

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dc.authoridLevent Alparslan /0000-0003-0113-6850
dc.authoridBarbaros Akkurt /0000-0003-4066-3004
dc.authoridSoykan Agar /0000-0002-9870-6882
dc.authorwosidLevent Alparslan /AAP-3253-2020
dc.contributor.authorAlparslan, Levent
dc.contributor.authorAkkurt, Barbaros
dc.contributor.authorAgar, Soykan
dc.date.accessioned2025-04-18T09:28:47Z
dc.date.available2025-04-18T09:28:47Z
dc.date.issued15 Mayıs 2024
dc.departmentİstinye Üniversitesi, Eczacılık Fakültesi, Eczacılık Teknolojisi Bölümü
dc.description.abstractDe 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.citationAgar, 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.doi10.18596/jotcsa.1406290
dc.identifier.endpage632
dc.identifier.issue2
dc.identifier.startpage623
dc.identifier.urihttps://hdl.handle.net/20.500.12713/6802
dc.identifier.volume11
dc.institutionauthorAlparslan, Levent
dc.institutionauthoridLevent Alparslan /0000-0003-0113-6850
dc.language.isoen
dc.publisherTurkish Chemical Society
dc.relation.ispartofJournal Of The Turkısh Chemical Society Section A: Chemistry
dc.relation.publicationcategoryMakale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectSalmon Calcitonin
dc.subjectCoronavirus RNA
dc.subjectCoronavirus Glycoprotein
dc.subjectMolecular Docking
dc.subjectMolecular Dynamics
dc.subjectHydrogen Contact Mapping
dc.titleDe novo drug design to suppress coronavirus RNA-Glycoprotein via PNA-Calcitonin
dc.typeArticle

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