Structural insights from binding poses of CCR2 and CCR5 with clinically important antagonists: a combined in silico study.

ABSTRACT: Chemokine receptors are G protein-coupled receptors that contain seven transmembrane domains. In particular, CCR2 and CCR5 and their ligands have been implicated in the pathophysiology of a number of diseases, including rheumatoid arthritis and multiple sclerosis. Based on their roles in disease, they have been attractive targets for the pharmaceutical industry, and furthermore, targeting both CCR2 and CCR5 can be a useful strategy. Owing to the importance of these receptors, information regarding the binding site is of prime importance. Structural studies have been hampered due to the lack of X-ray crystal structures, and templates with close homologs for comparative modeling. Most of the previous models were based on the bovine rhodopsin and β2-adrenergic receptor. In this study, based o

SUBMITTER: Kothandan G 

PROVIDER: S-EPMC3314010 | biostudies-literature | 2012

REPOSITORIES: biostudies-literature