De novo drug design to suppress coronavirus RNA-Glycoprotein via PNA-Calcitonin
Küçük Resim Yok
Tarih
15 Mayıs 2024
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Turkish Chemical Society
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
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.
Açıklama
Anahtar Kelimeler
Salmon Calcitonin, Coronavirus RNA, Coronavirus Glycoprotein, Molecular Docking, Molecular Dynamics, Hydrogen Contact Mapping
Kaynak
Journal Of The Turkısh Chemical Society Section A: Chemistry
WoS Q Değeri
Scopus Q Değeri
Cilt
11
Sayı
2
Künye
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.
