Thermodynamic research on the inhibitors of coronavirus through drug delivery method
Yazarlar (2)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Islamic Azad University, Central Tehran Branch, İran
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Central Tehran Branch, İran
| 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 | ||
| Dergi Tarandığı Indeksler | SCI-Exp, SCOPUS, CCR Database, Chemistry Server Reaction Center, Curation, Current Contents Physical Chemical & Earth Sciences, Essential Science Indicators, Pdf2xml, Pdf2xml, Reaction Citation Index, Reference Master, Scielo, Sophia | ||
| Makale Dili | İngilizce | Basım Tarihi | 04-2021 |
| Cilt / Sayı / Sayfa | 66 / 2 / 5195–5205 | DOI | 10.4067/S0717-97072021000205195 |
| Makale Linki | https://www.scielo.cl/scielo.php?pid=S0717-97072021000205195&script=sci_arttext | ||
| UAK Araştırma Alanları |
Fen Bilimleri ve Matematik
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| Özet |
| Based on CoVs, the genomic structure is arranged in a +ssRNA with approximately 30kb in length which is the biggest known RNA viruses including a 5′-cap structure and 3′-poly-A tail. CoVs, (positive stranded RNA viruses), can infect humans and multiple species of animals, cause enteric, respiratory, and central nervous system diseases in many species. These viruses are important for anti-CoV drug delivery through a pivotal function in viral gene expression and replication through the proteolytic processing of replicase polyproteins. In this paper, it has been illustrated the linkage of 6 inhibitors of N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2-oxazole-5-carboxamide, “inh1”, NSC 158362, “inh2”,JMF 1586 ,”inh3”,(N-(2-aminoethyl)-1-1ziridine-ethanamine) , “inh4” ,[(Z)-1-thiophen-2-ylethylideneamino]thiourea, “inh5” and Vanillinbananin, “inh6”, to CoVs by forming the complexes of “inhibitor- CoV” in water phase through the H-bonding using some physico-chemical properties including heat of formation , Gibbs free energy , electronic energy , charge distribution of active parts in the hydrogen bonding ,NMR estimation of inhibitor jointed to the database amino acids fragment of Tyr-Met-His as the selective zone of the CoV, positive frequency and intensity of different normal modes of these structures.The theoretical calculations were done at various levels of theory in water simulated medium to gain the more accurate equilibrium geometrical results, and infrared spectral data for each of the complex proposed drugs of N-terminal or O-terminal auto-cleavage substrate were individually determined to elucidate the structural flexibility and … |
| Anahtar Kelimeler |
| Anti-coronavirus | CoV | Drug delivery | Geometry | Hydrogen bonding | Inhibitor | IR | NMR | Physico-chemical properties | TMH | Water |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 6 |
| Scopus | 16 |
| Google Scholar | 15 |