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Docking 14 million virtual isoquinuclidines against the mu and kappa opioid receptors reveals dual antagonists-inverse agonists with reduced withdrawal effects.

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Title: Docking 14 million virtual isoquinuclidines against the mu and kappa opioid receptors reveals dual antagonists-inverse agonists with reduced withdrawal effects.
Authors: Vigneron SF; Department of Pharmaceutical Chemistry, University of California, San Francisco., Ohno S; Department of Chemistry, Yale University., Braz J; Department of Anatomy, University of California, San Francisco., Kim JY; Department of Pharmaceutical Chemistry, University of California, San Francisco., Kweon OS; Department of Chemistry, Yale University., Webb C; Department of Pharmaceutical Chemistry, University of California, San Francisco., Billesbølle C; Department of Pharmaceutical Chemistry, University of California, San Francisco., Bhardwaj K; Department of Anatomy, University of California, San Francisco., Irwin J; Department of Pharmaceutical Chemistry, University of California, San Francisco., Manglik A; Department of Pharmaceutical Chemistry, University of California, San Francisco., Basbaum AI; Department of Anatomy, University of California, San Francisco., Ellman JA; Department of Chemistry, Yale University., Shoichet BK; Department of Pharmaceutical Chemistry, University of California, San Francisco.
Source: BioRxiv : the preprint server for biology [bioRxiv] 2025 Jan 14. Date of Electronic Publication: 2025 Jan 14.
Publication Type: Journal Article; Preprint
Journal Info: Country of Publication: United States NLM ID: 101680187 Publication Model: Electronic Cited Medium: Internet ISSN: 2692-8205 (Electronic) Linking ISSN: 26928205 NLM ISO Abbreviation: bioRxiv Subsets: PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Data: Docking 14 million virtual isoquinuclidines against the mu and kappa opioid receptors reveals dual antagonists-inverse agonists with reduced withdrawal effects.
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  Data: <searchLink fieldCode="AU" term="%22Vigneron+SF%22">Vigneron SF</searchLink>; Department of Pharmaceutical Chemistry, University of California, San Francisco.<br /><searchLink fieldCode="AU" term="%22Ohno+S%22">Ohno S</searchLink>; Department of Chemistry, Yale University.<br /><searchLink fieldCode="AU" term="%22Braz+J%22">Braz J</searchLink>; Department of Anatomy, University of California, San Francisco.<br /><searchLink fieldCode="AU" term="%22Kim+JY%22">Kim JY</searchLink>; Department of Pharmaceutical Chemistry, University of California, San Francisco.<br /><searchLink fieldCode="AU" term="%22Kweon+OS%22">Kweon OS</searchLink>; Department of Chemistry, Yale University.<br /><searchLink fieldCode="AU" term="%22Webb+C%22">Webb C</searchLink>; Department of Pharmaceutical Chemistry, University of California, San Francisco.<br /><searchLink fieldCode="AU" term="%22Billesbølle+C%22">Billesbølle C</searchLink>; Department of Pharmaceutical Chemistry, University of California, San Francisco.<br /><searchLink fieldCode="AU" term="%22Bhardwaj+K%22">Bhardwaj K</searchLink>; Department of Anatomy, University of California, San Francisco.<br /><searchLink fieldCode="AU" term="%22Irwin+J%22">Irwin J</searchLink>; Department of Pharmaceutical Chemistry, University of California, San Francisco.<br /><searchLink fieldCode="AU" term="%22Manglik+A%22">Manglik A</searchLink>; Department of Pharmaceutical Chemistry, University of California, San Francisco.<br /><searchLink fieldCode="AU" term="%22Basbaum+AI%22">Basbaum AI</searchLink>; Department of Anatomy, University of California, San Francisco.<br /><searchLink fieldCode="AU" term="%22Ellman+JA%22">Ellman JA</searchLink>; Department of Chemistry, Yale University.<br /><searchLink fieldCode="AU" term="%22Shoichet+BK%22">Shoichet BK</searchLink>; Department of Pharmaceutical Chemistry, University of California, San Francisco.
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  Data: <i>Country of Publication: </i>United States <i>NLM ID: </i>101680187 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>2692-8205 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2226928205%22">26928205 </searchLink><i>NLM ISO Abbreviation: </i>bioRxiv <i>Subsets: </i>PubMed not MEDLINE
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        Value: 10.1101/2025.01.09.632033
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              Text: 2025 Jan 14
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