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Halojenli Bisiklo[4.2.0] İnositollerin SARS-CoV-2 Proteinleri ile Moleküler Doking Çalışmaları
2021
Journal:  
Ordu Üniversitesi Bilim ve Teknoloji Dergisi
Author:  
Abstract:

Siklik sülfat, SARS-CoV-2'nin kenetlenmiş proteinlerinin bağlanma bölgelerine iyi uyum sağlayabilen öncü bileşiktir. Siklik Sülfat, SARS-CoV-2'nin 6lu7, 6zb5 ve 6vww proteinleri için sırasıyla -7.33, -7.29 ve -7.29 kcal mol-1 'lük bağlanma enerjileriyle çok güçlü moleküler etkileşimler gösterdi. Ayrıca asetat, SARS-CoV-2'nin 6lu7 proteini için -7.45 kcal mol-1 ile çok güçlü moleküler etkileşimler gösterdi. Bu nedenle sonuçlarımıza göre siklik sülfat ve asetat, COVID-19 tedavisi için umut verici bir ilaç adayı olarak araştırılmalıdır.

Keywords:

Molecular Docking Studies Of Halogenated Bicyclo[4.2.0] Inositols With Sars-cov-2 Proteins
2021
Author:  
Abstract:

Cyclic sulfate is the precursor compound that can adapt well to the binding sites of the docked proteins of SARS-CoV-2. Cyclic sulfate showed very strong molecular interactions for the 6lu7, 6zb5, and 6vww proteins of SARS-CoV-2, with binding energies of -7.33, -7.29, and -7.29 kcal mol-1, respectively. Besides, acetate showed very strong molecular interactions with -7.45 kcal mol-1 for the 6lu7 protein of SARS-CoV-2. Therefore, according to our results, cyclic sulfate and acetate should be investigated as promising drug candidates for the treatment of COVID-19.

Keywords:

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Ordu Üniversitesi Bilim ve Teknoloji Dergisi

Field :   Eğitim Bilimleri; Fen Bilimleri ve Matematik; Mühendislik

Journal Type :   Ulusal

Metrics
Article : 238
Cite : 870
2023 Impact : 0.114
Ordu Üniversitesi Bilim ve Teknoloji Dergisi