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Discovery of a novel selective kappa-opioid receptor agonist using crystal structure-based virtual screening.

ABSTRACT: 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.

SUBMITTER: Negri A

PROVIDER: S-EPMC3702663 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

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Discovery of a novel selective kappa-opioid receptor agonist using crystal structure-based virtual screening.

Negri Ana A Rives Marie-Laure ML Caspers Michael J MJ Prisinzano Thomas E TE Javitch Jonathan A JA Filizola Marta M

Journal of chemical information and modeling 20130313 3

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 ...[more]

PMID: 23461591

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