Degradation reactions of Covid-19 active ingredients by molecular modeling method
Yükleniyor...
Dosyalar
Tarih
2022
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Bulgarska Akademiya na Naukite
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
The coronavirus (Covid) is a large family of viruses known to cause a variety of illnesses, from the common cold to acute respiratory infections. The severity of the infection can be seen as pneumonia, acute respiratory syndrome and even death. This group of viruses was largely ignored until the SARS epidemic. However, since the SARS and MERS outbreaks, these viruses have been studied in more detail to advance vaccine research. On December 31, 2019, mysterious cases of pneumonia were detected in the city of Wuhan in China's Hubei Province. On January 7, 2020, the cause was identified as a novel coronavirus (2019-nCovid), and the disease was later named Covid-19 by WHO. In this study, possible reaction pathways of Afzelin, Delta Viniferin and Hesperidin molecules between OH radical were determined. Optimized geometries were plotted with Gauss View 5. Then, the lowest energy states were found by geometric optimization with the Gaussian 09 program. © 2022 Bulgarian Academy of Sciences, Union of Chemists in Bulgaria.
Açıklama
Anahtar Kelimeler
Covid-19, DFT, Gaussian 09W, OH radical
Kaynak
Bulgarian Chemical Communications
WoS Q Değeri
Scopus Q Değeri
Q4
Cilt
54
Sayı
3
