Computer-aided discovery of aromatic L-α-amino acids as agonists of the orphan G protein-coupled receptor GPR139
Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
GPR139 is an orphan G protein-coupled receptor expressed mainly in the central nervous system. We developed a pharmacophore model based on known GPR139 surrogate agonists which led us to propose aromatic-containing dipeptides as potential ligands. Upon testing, the dipeptides demonstrated agonism in the Gq pathway. Next, testing all 20 proteinogenic L-α-amino acids; L-tryptophan and L-phenylalanine were found to have EC50 values of 220 µM and 320 µM, respectively, making them the first putative endogenous agonists for GPR139.
Originalsprog | Engelsk |
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Tidsskrift | Journal of Chemical Information and Modeling |
Vol/bind | 54 |
Udgave nummer | 6 |
Sider (fra-til) | 1553-1557 |
Antal sider | 5 |
ISSN | 1549-9596 |
DOI | |
Status | Udgivet - 14 maj 2014 |
ID: 112862682