De novo drug design to suppress coronavirus RNA-glycoprotein via PNA-calcitonin

Basit Öğe Kaydı
dc.authorscopusidLevent Alparslan / 22133645600
dc.authorwosidLevent Alparslan / AAP-3253-2020
dc.contributor.authorAgar, Soykan
dc.contributor.authorAkkurt, Barbaros
dc.contributor.authorAlparslan, Levent
dc.date.accessioned2025-04-18T07:07:28Z
dc.date.available2025-04-18T07:07:28Z
dc.date.issued2024
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 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.
dc.identifier.citationAgar, 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.
dc.identifier.doi10.18596/jotcsa.1406290
dc.identifier.endpage632
dc.identifier.issn21490120
dc.identifier.issue2
dc.identifier.scopus2-s2.0-85193248453
dc.identifier.scopusqualityQ3
dc.identifier.startpage623
dc.identifier.urihttp://dx.doi.org/10.18596/jotcsa.1406290
dc.identifier.urihttps://hdl.handle.net/20.500.12713/6421
dc.identifier.volume11
dc.indekslendigikaynakScopus
dc.institutionauthorAlparslan, Levent
dc.institutionauthoridLevent Alparslan / 0000-0003-0113-6850
dc.language.isoen
dc.publisherTurkish chemical society
dc.relation.ispartofJournal of the Turkish chemical society, section a: chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectCoronavirus Glycoprotein
dc.subjectCoronavirus RNA
dc.subjectHydrogen Contact Mapping
dc.subjectMolecular Docking
dc.subjectMolecular Dynamics
dc.subjectSalmon Calcitonin
dc.titleDe novo drug design to suppress coronavirus RNA-glycoprotein via PNA-calcitonin
dc.typeArticle

Dosyalar

Lisans paketi
Listeleniyor 1 - 1 / 1
Küçük Resim Yok
İsim:
license.txt
Boyut:
1.17 KB
Biçim:
Item-specific license agreed upon to submission
Açıklama:
İndir

Koleksiyon

Eczacılık Teknolojisi Bölümü Makale Koleksiyonu