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Environmentally Friendly Fluoroquinolone Derivatives with Lower Plasma Protein Binding Rate Designed Using 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation

Comparative molecular similarity index analysis (CoMSIA) was used to establish a three-dimensional quantitative structure–activity relationship (3D-QSAR) model with structural parameters of quinolones as the independent variables and plasma protein binding rate (logf(b)) as the dependent variable to...

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Dades bibliogràfiques
Publicat a:Int J Environ Res Public Health
Autors principals: Hou, Yilin, Zhao, Yuanyuan, Li, Yu
Format: Artigo
Idioma:Inglês
Publicat: MDPI 2020
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC7560044/
https://ncbi.nlm.nih.gov/pubmed/32932916
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijerph17186626
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