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Akademisyenler > Fatemeh MOLLAAMIN > Yayın Detayı

B5N10 Nanocarrier Functionalized with Al, C, Si Atoms: A Drug Delivery Method for Infectious Disease Remedy  
Yazarlar (2)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Dr. Öğr. Üyesi Fatemeh MOLLAAMIN
Kastamonu Üniversitesi, Türkiye
Majid Monajjemi
Islamic Azad University, Central Tehran Branch, Iran
Devamını Göster
Özet
As proof has recommended a close connection between COVID-19 and neurodegenerative disorders, this article aims to investigate the chloroquine (CLQ) drug as the SARS-CoV-2's primary protease, which can prevent in vitro viral duplication of all diverse experiments to present. CLQ is an anti-viral drug enlarged by Pfizer, which can operate as an orally effective 3C-like protease inhibitor. In this study, CLQ has been assessed for its effectiveness against coronavirus by trapping it within a boron nitride nanocage (B5N10_NC) functionalized with specific atoms for drug delivery. This procedure relies on the principle of direct electron transfer and can be elucidated using density functional theory (DFT) in quantum mechanics methods. It was performed the theoretical method of the B3LYP/6-311+G(d,p) to account for the aptitude of B5N10_NC for grabbing CLQ drug via density of electronic states, nuclear quadrupole resonance, nuclear magnetic resonance, and thermodynamic specifications. Finally, the resulting amounts illustrated that using B5N10_NC functionalized with aluminum (Al), carbon (C), and silicon (Si) for adsorbing CLQ drug towards formation of CLQ@Al--B4N10_NC, CLQ@C--B4N10_NC, CLQ@Si--B4N10_NC might provide the reasonable formula in drug delivery technique which can be fulfilled by quantum mechanics computations due to physicochemical properties of PDOS, NMR, NQR, and IR spectrum. An overview of recent developments in nanocage-based drug delivery systems will be provided, including the design of nanocages and atom-doped nanocages.
Anahtar Kelimeler
CLQ | COVID-19 | Drug delivery | Y--B4N10 (Y = Al, C, Si)
Makale Türü Özgün Makale
Makale Alt Türü SCOPUS dergilerinde yayımlanan tam makale
Dergi Adı Obm Genetics
Dergi ISSN 2577-5790
Makale Dili İngilizce
Basım Tarihi 04-2024
Cilt No 8
Sayı 1
Doi Numarası 10.21926/obm.genet.2401214
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
SCOPUS 4
B5N10 Nanocarrier Functionalized with Al, C, Si Atoms: A Drug Delivery Method for Infectious Disease Remedy

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