QSAR study of unsymmetrical aromatic disulfides as potent avian SARS-CoV main protease inhibitors using quantum chemical descriptors and statistical methods

In silico research was executed on forty unsymmetrical aromatic disulfide derivatives as inhibitors of the SARS Coronavirus (SARS-CoV-1). Density functional theory (DFT) calculation with B3LYP functional employing 6-311 ​+ ​G(d,p) basis set was used to calculate quantum chemical descriptors. Topolog...

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Detalles Bibliográficos
Autores principales: Chtita, Samir, Belhassan, Assia, Bakhouch, Mohamed, Taourati, Abdelali Idrissi, Aouidate, Adnane, Belaidi, Salah, Moutaabbid, Mohammed, Belaaouad, Said, Bouachrine, Mohammed, Lakhlifi, Tahar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V. 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7857023/
https://www.ncbi.nlm.nih.gov/pubmed/33558778
http://dx.doi.org/10.1016/j.chemolab.2021.104266

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