De novo drug design to suppress coronavirus RNA-glycoprotein via PNA-calcitonin
Küçük Resim Yok
Tarih
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 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.
Açıklama
Anahtar Kelimeler
Coronavirus Glycoprotein, Coronavirus RNA, Hydrogen Contact Mapping, Molecular Docking, Molecular Dynamics, Salmon Calcitonin
Kaynak
Journal of the Turkish chemical society, section a: chemistry
WoS Q Değeri
Scopus Q Değeri
Q3
Cilt
11
Sayı
2
Künye
Agar, 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.
