Molecular docking assisted exploration on solubilization of poorly soluble drug remdesivir in sulfobutyl ether-tycyclodextrin

OBJECTIVE: To study structure-specific solubilization effect of Sulfobutyl ether-β-cyclodextrin (SBE-β-CD) on Remdesivir (RDV) and to understand the experimental clathration with the aid of quantum mechanics (QM), molecular docking and molecular dynamics (MD) calculations. METHODS: The experiment wa...

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Detalles Bibliográficos
Autores principales: Zhang, Yumeng, Zhao, Zhouming, Wang, Kai, Lyu, Kangjie, Yao, Cai, Li, Lin, Shen, Xia, Liu, Tengfei, Guo, Xiaodi, Li, Haiyan, Wang, Wenshou, Lai, Tsai-Ta
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2022
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9035334/
https://www.ncbi.nlm.nih.gov/pubmed/35498163
http://dx.doi.org/10.1186/s41120-022-00054-5

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9035334/
https://www.ncbi.nlm.nih.gov/pubmed/35498163
http://dx.doi.org/10.1186/s41120-022-00054-5

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