Docking 14 Million Virtual Isoquinuclidines against the μ and κ Opioid Receptors Reveals Dual Antagonists-Inverse Agonists with Reduced Withdrawal Effects.

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Title: Docking 14 Million Virtual Isoquinuclidines against the μ and κ Opioid Receptors Reveals Dual Antagonists-Inverse Agonists with Reduced Withdrawal Effects.
Authors: Vigneron SF; Department of Pharmaceutical Chemistry, University of California, San Francisco, California 94158, United States., Ohno S; Department of Chemistry, Yale University, New Haven, Connecticut 06520, United States., Braz J; Department of Anatomy, University of California, San Francisco, California 94158, United States., Kim JY; Department of Pharmaceutical Chemistry, University of California, San Francisco, California 94158, United States., Kweon OS; Department of Chemistry, Yale University, New Haven, Connecticut 06520, United States., Webb C; Department of Pharmaceutical Chemistry, University of California, San Francisco, California 94158, United States., Billesbølle CB; Department of Pharmaceutical Chemistry, University of California, San Francisco, California 94158, United States., Srinivasan K; Department of Pharmaceutical Chemistry, University of California, San Francisco, California 94158, United States., Bhardwaj K; Department of Anatomy, University of California, San Francisco, California 94158, United States., Irwin JJ; Department of Pharmaceutical Chemistry, University of California, San Francisco, California 94158, United States., Manglik A; Department of Pharmaceutical Chemistry, University of California, San Francisco, California 94158, United States., Basbaum AI; Department of Anatomy, University of California, San Francisco, California 94158, United States., Ellman JA; Department of Chemistry, Yale University, New Haven, Connecticut 06520, United States., Shoichet BK; Department of Pharmaceutical Chemistry, University of California, San Francisco, California 94158, United States.
Source: ACS central science [ACS Cent Sci] 2025 Apr 29; Vol. 11 (5), pp. 770-790. Date of Electronic Publication: 2025 Apr 29 (Print Publication: 2025).
Publication Type: Journal Article
Journal Info: Publisher: ACS Publications Country of Publication: United States NLM ID: 101660035 Publication Model: eCollection Cited Medium: Print ISSN: 2374-7943 (Print) Linking ISSN: 23747943 NLM ISO Abbreviation: ACS Cent Sci Subsets: PubMed not MEDLINE
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  Data: <searchLink fieldCode="JN" term="%22101660035%22">ACS central science</searchLink> [ACS Cent Sci] 2025 Apr 29; Vol. 11 (5), pp. 770-790. <i>Date of Electronic Publication: </i>2025 Apr 29 (<i>Print Publication: </i>2025).
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