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    Discovery of a Novel Selective Kappa-Opioid Receptor Agonist Using Crystal Structure-Based Virtual Screening

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    Prisinzano_2013.pdf (924.1Kb)
    Issue Date
    2013-03-25
    Author
    Negri, Ana
    Rives, Marie-Laure
    Caspers, Michael J.
    Prisinzano, Thomas E.
    Javitch, Jonathan A.
    Filizola, Marta
    Publisher
    American Chemical Society
    Type
    Article
    Article Version
    Scholarly/refereed, author accepted manuscript
    Rights
    This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Chemical Information and Modeling, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://doi.org/10.1021/ci400019t.
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    Abstract
    Kappa-opioid (KOP) receptor agonists exhibit analgesic effects without activating reward pathways. In the search for non-addictive 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.
    URI
    http://hdl.handle.net/1808/24227
    DOI
    https://doi.org/10.1021/ci400019t
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    • Medicinal Chemistry Scholarly Works [225]
    Citation
    Negri, A., Rives, M.-L., Caspers, M. J., Prisinzano, T. E., Javitch, J. A., & Filizola, M. (2013). Discovery of a Novel Selective Kappa-Opioid Receptor Agonist Using Crystal Structure-Based Virtual Screening. Journal of Chemical Information and Modeling, 53(3), 521–526. http://doi.org/10.1021/ci400019t

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    Contact KU ScholarWorks
    785-864-8983
    KU Libraries
    1425 Jayhawk Blvd
    Lawrence, KS 66045
    785-864-8983

    KU Libraries
    1425 Jayhawk Blvd
    Lawrence, KS 66045
    Image Credits
     

     

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