De novo Drug Design to Suppress Coronavirus RNA-Glycoprotein via PNA-Calcitonin
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.
Anahtar Kelimeler
RDL Kalıcı Bağlantı (PID)
https://rdlopen.rawdatalibrary.net/r/kostu/10452Resmi atıflarda kullanılan kalıcı adresİndeks kayıtları
Kaydın indeks veri tabanlarındaki sayfası (aktarımda alınan kayıt numarasıyla). Erişim, indeksin kendi koşullarına bağlıdır.Atıflar
- Scopus
- 1
- OpenAlex
- 3
- TR Dizin
- 2
Tam Kayıt
| Alan | Değer | Dil |
|---|---|---|
| dc.contributor.author | Agar, Soykan | |
| dc.contributor.author | Akkurt, Barbaros | |
| dc.contributor.author | Alparslan, Levent | |
| dc.date.accessioned | 2026-10-27T23:47:32.922218386Z | |
| dc.date.available | 2026-10-27T23:47:32.922218386Z | |
| dc.date.issued | 2024 | |
| 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 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.doi | 10.18596/jotcsa.1406290 | |
| dc.identifier.eissn | 2149-0120 | |
| dc.identifier.endpage | 632 | |
| dc.identifier.issn | 2149-0120 | |
| dc.identifier.issue | 2 | |
| dc.identifier.scopus | 2-s2.0-85193248453 | |
| dc.identifier.startpage | 623 | |
| dc.identifier.uri | https://rdlopen.rawdatalibrary.net/r/kostu/10452 | |
| dc.identifier.volume | 11 | |
| dc.language.iso | en | |
| dc.publisher | Turkish Chemical Society | |
| dc.relation.ispartof | Journal of the Turkish Chemical Society, Section A: Chemistry | |
| dc.rights | info:eu-repo/semantics/openAccess | |
| dc.subject | Coronavirus Glycoprotein | |
| dc.subject | Coronavirus RNA | |
| dc.subject | Hydrogen Contact Mapping | |
| dc.subject | Molecular Docking | |
| dc.subject | Molecular Dynamics | |
| dc.subject | Salmon Calcitonin | |
| dc.title | De novo Drug Design to Suppress Coronavirus RNA-Glycoprotein via PNA-Calcitonin | |
| dc.type | Article | |
| rdl.citation.openalex | 3 | |
| rdl.citation.scopus | 1 | |
| rdl.citation.trdizin | 2 | |
| rdl.oa.status | gold | |
| rdl.oa.url | https://dergipark.org.tr/en/download/article-file/3605247 | |
| rdl.scopus.quartile | Q3 | |
| rdl.sdg | SDG03 | |
| rdl.source.index | SCOPUS | |
| rdl.source.index | TRDIZIN |


