Physical Chemistry of Chloroquine Permeation through the Cell Membrane with Atomistic Detail

[Image: see text] We provide a molecular-level description of the thermodynamics and mechanistic aspects of drug permeation through the cell membrane. As a case study, we considered the antimalaria FDA approved drug chloroquine. Molecular dynamics simulations of the molecule (in its neutral and prot...

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Detalles Bibliográficos
Autores principales: Paulikat, Mirko, Piccini, GiovanniMaria, Ippoliti, Emiliano, Rossetti, Giulia, Arnesano, Fabio, Carloni, Paolo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10685453/
https://www.ncbi.nlm.nih.gov/pubmed/37947485
http://dx.doi.org/10.1021/acs.jcim.3c01363

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10685453/
https://www.ncbi.nlm.nih.gov/pubmed/37947485
http://dx.doi.org/10.1021/acs.jcim.3c01363

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