Insights on small molecule binding to the Hv1 proton channel from free energy calculations with molecular dynamics simulations

Hv1 is a voltage-gated proton channel whose main function is to facilitate extrusion of protons from the cell. The development of effective channel blockers for Hv1 can lead to new therapeutics for the treatment of maladies related to Hv1 dysfunction. Although the mechanism of proton permeation in H...

Descripción completa

Detalles Bibliográficos
Autores principales: Lim, Victoria T., Geragotelis, Andrew D., Lim, Nathan M., Freites, J. Alfredo, Tombola, Francesco, Mobley, David L., Tobias, Douglas J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7423955/
https://www.ncbi.nlm.nih.gov/pubmed/32788614
http://dx.doi.org/10.1038/s41598-020-70369-4

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7423955/
https://www.ncbi.nlm.nih.gov/pubmed/32788614
http://dx.doi.org/10.1038/s41598-020-70369-4

Ejemplares similares