DETERMINATION OF PROTEINS SPECIFICATION WITH SARS- COVID-19 BASED LIGAND DESIGNING
Yazarlar (3)
Sara Shahriari Islamic Azad University, Central Tehran Branch, İran
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Central Tehran Branch, İran
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Kastamonu Üniversitesi, Türkiye
| Makale Türü |
Özgün Makale
(SCOPUS dergilerinde yayınlanan tam makale)
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| Dergi Adı | Journal of the Chilean Chemical Society | ||
| Dergi ISSN | 0717-9324 | ||
| Makale Dili | İngilizce | Basım Tarihi | 06-2022 |
| Cilt / Sayı / Sayfa | 67 / 2 / 5468–5476 | DOI | 10.4067/S0717-97072022000205468 |
| Özet |
| Towards to recognize a strong inhibitor we accomplished docking studies on the major virus protease with 4 natural product species as anti Covid-19(SARS-CoV-2), namely “Vidarabine”, “Cytarabine”, “Gemcitabine” and “Matrine” from which are extractive from Gillan’s leaves plants. These are known as Chuchaq, Trshvash, Cote-Couto and Khlvash in Iran. Among these four studied compounds, Cytarabine appear as suitable compound with high effectiveness inhibitors to this protease. With docking simulation and NMR investigation we demonstrated, these compounds exhibit a suitable binding energy around 9 Kcal/mol with various ligand proteins modes in the binding to COVID-19 viruses. However, these data need further in both, vivo & vitro evaluation for repurposing these drugs against COVID-19 viruses. |
| Anahtar Kelimeler |
| Covid-19 | Gillan‘s leaves plants, ACE2 or Angiotensin Converting Enzyme-2 | PD or protease domain | RBD or Receptor binding domain |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 22 |
| Scopus | 37 |