Computer-aided discovery of aromatic L-α-amino acids as agonists of the orphan G protein-coupled receptor GPR139
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Computer-aided discovery of aromatic L-α-amino acids as agonists of the orphan G protein-coupled receptor GPR139. / Ísberg, Vignir; Andersen, Kirsten Bayer; Bisig, Christoph; Dietz, Gunnar Ph; Bräuner-Osborne, Hans; Gloriam, David Erik.
In: Journal of Chemical Information and Modeling, Vol. 54, No. 6, 14.05.2014, p. 1553-1557.Research output: Contribution to journal › Journal article › Research › peer-review
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T1 - Computer-aided discovery of aromatic L-α-amino acids as agonists of the orphan G protein-coupled receptor GPR139
AU - Ísberg, Vignir
AU - Andersen, Kirsten Bayer
AU - Bisig, Christoph
AU - Dietz, Gunnar Ph
AU - Bräuner-Osborne, Hans
AU - Gloriam, David Erik
PY - 2014/5/14
Y1 - 2014/5/14
N2 - 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.
AB - 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.
U2 - 10.1021/ci500197a
DO - 10.1021/ci500197a
M3 - Journal article
C2 - 24826842
VL - 54
SP - 1553
EP - 1557
JO - Journal of Chemical Information and Modeling
JF - Journal of Chemical Information and Modeling
SN - 1549-9596
IS - 6
ER -
ID: 112862682