TY - JOUR
T1 - Discovery of a novel selective kappa-opioid receptor agonist using crystal structure-based virtual screening
AU - Negri, Ana
AU - Rives, Marie Laure
AU - Caspers, Michael J.
AU - Prisinzano, Thomas E.
AU - Javitch, Jonathan A.
AU - Filizola, Marta
PY - 2013/3/25
Y1 - 2013/3/25
N2 - Kappa-opioid (KOP) receptor agonists exhibit analgesic effects without activating reward pathways. In the search for nonaddictive opioid therapeutics and novel chemical tools to study physiological functions regulated by the KOP receptor, we screened in silico its recently released inactive crystal structure. A selective novel KOP receptor agonist emerged as a notable result and is proposed as a new chemotype for the study of the KOP receptor in the etiology of drug addiction, depression, and/or pain.
AB - Kappa-opioid (KOP) receptor agonists exhibit analgesic effects without activating reward pathways. In the search for nonaddictive opioid therapeutics and novel chemical tools to study physiological functions regulated by the KOP receptor, we screened in silico its recently released inactive crystal structure. A selective novel KOP receptor agonist emerged as a notable result and is proposed as a new chemotype for the study of the KOP receptor in the etiology of drug addiction, depression, and/or pain.
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U2 - 10.1021/ci400019t
DO - 10.1021/ci400019t
M3 - Article
C2 - 23461591
AN - SCOPUS:84875475404
SN - 1549-9596
VL - 53
SP - 521
EP - 526
JO - Journal of Chemical Information and Modeling
JF - Journal of Chemical Information and Modeling
IS - 3
ER -
