Cargando…
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...
Autores principales: | Hou, Yilin, Zhao, Yuanyuan, Li, Yu |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2020
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7560044/ https://www.ncbi.nlm.nih.gov/pubmed/32932916 http://dx.doi.org/10.3390/ijerph17186626 |
Ejemplares similares
-
Searching glycolate oxidase inhibitors based on QSAR, molecular docking, and molecular dynamic simulation approaches
por: Cabrera, Nicolás, et al.
Publicado: (2022) -
QSAR, Docking, and Molecular Dynamics Simulation Studies of Sigmacidins as Antimicrobials against Streptococci
por: Ye, Jiqing, et al.
Publicado: (2022) -
3D-QSAR, Molecular Docking and Molecular Dynamics Simulation of Pseudomonas aeruginosa LpxC Inhibitors
por: Zuo, Ke, et al.
Publicado: (2017) -
Combined 2D-QSAR, Principal Component Analysis and Sensitivity Analysis Studies on Fluoroquinolones’ Genotoxicity
por: Du, Meijin, et al.
Publicado: (2019) -
3D-QSAR, Molecular Docking, and MD Simulations of Anthraquinone Derivatives as PGAM1 Inhibitors
por: Wang, Yuwei, et al.
Publicado: (2021)