Cuspareine as alkaloid against COVID-19 designed with ionic liquids: DFT and docking molecular approaches

Cuspareine as an antiviral alkaloid can be used in the treatment of COVID-19. In this study, we introduced the ionic liquids (ILs) concluded cuspareinium as a cation with CH(3)COO(−), CF(3)COO(−), and PF(6) as anions. The optimized geometry, thermodynamic parameters, and reactivity descriptors were...

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Detalles Bibliográficos
Autores principales: Madadi Mahani, Nosrat, Mostaghni, Fatemeh, Shafiekhani, Homa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V. 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9020645/
https://www.ncbi.nlm.nih.gov/pubmed/35483276
http://dx.doi.org/10.1016/j.jphotobiol.2022.112447

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9020645/
https://www.ncbi.nlm.nih.gov/pubmed/35483276
http://dx.doi.org/10.1016/j.jphotobiol.2022.112447

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