Insights into the mechanism of C5aR inhibition by PMX53 via implicit solvent molecular dynamics simulations and docking

BACKGROUND: The complement protein C5a acts by primarily binding and activating the G-protein coupled C5a receptor C5aR (CD88), and is implicated in many inflammatory diseases. The cyclic hexapeptide PMX53 (sequence Ace-Phe-[Orn-Pro-dCha-Trp-Arg]) is a full C5aR antagonist of nanomolar potency, and...

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Main Authors: Tamamis, Phanourios, Kieslich, Chris A, Nikiforovich, Gregory V, Woodruff, Trent M, Morikis, Dimitrios, Archontis, Georgios
Formato: Artigo
Idioma:Inglês
Publicado: BioMed Central 2014
Assuntos:
Research Article
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC4141665/
https://ncbi.nlm.nih.gov/pubmed/25170421
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/2046-1682-7-5
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