ArticleACS omega2025
Quantum Chemical Exploration of Fentanyl and Its Analogs: Conformational Landscapes and Energetics in Solution.
Article in ACS omega, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
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Authors and funding
7 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Opioids are clinical drugs prescribed to manage moderate and severe pain; however, they have negative side effects such as bradycardia, constipation, and respiratory depression. Their addictive properties have led to a drug epidemic and major health crisis in the U.S. Although experimental and computational studies have explored opioid binding and activation of the μ-opioid receptor (MOR), key questions remain about how these interactions relate to physiological properties. We present a quantum chemical data set of 3081 optimized geometries and relative Gibbs free energies, at physiological temperature, for fentanyl and 33 of its analogs in aqueous solution. We find that these compounds are conformationally flexible, and the
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the Socratic graph.