ArticleAdvanced science (Weinheim, Baden-Wurttemberg, Germany)2023
Distinct Conformations of Mirabegron Determined by MicroED.
Article in Advanced science (Weinheim, Baden-Wurttemberg, Germany), 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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
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Who cites it
9 citing papers in PubMed, 11 citations in OpenAlex.
- Application of electron diffraction to rapid structural elucidation of crude reaction products.Communications chemistry · 2026Article
- Microcrystal Electron Diffraction-Guided Discovery of Fungal Metabolites.Journal of the American Chemical Society · 2025Article
- Unraveling atomic complexity from frozen samples.Structural dynamics (Melville, N.Y.) · 2025Article
- Applying 3D ED/MicroED workflows toward the next frontiers.Acta crystallographica. Section C, Structural chemistry · 2024Article
- Polymorphic Structure Determination of the Macrocyclic Drug Paritaprevir by MicroED.Advanced biology · 2024Article
- MicroED as a Powerful Tool for Structure Determination of Macrocyclic Drug Compounds Directly from Their Powder Formulations.ACS chemical biology · 2023Article
- Distinct Conformations of Mirabegron Determined by MicroED.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2023Article
- Polymorphic Structure Determination of the Macrocyclic Drug Paritaprevir by MicroED.bioRxiv : the preprint server for biology · 2023Article
- MicroED as a powerful tool for structure determination of macrocyclic drug compounds directly from their powder formulations.bioRxiv : the preprint server for biology · 2023Article
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Authors and funding
3 authors at 2 institutions in 1 country.
Funding
Abstract
Mirabegron, commonly known as "Myrbetriq", has been widely prescribed as a medicine for overactive bladder syndrome for over a decade. However, the structure of the drug and what conformational changes it may undergo upon binding its receptor remain unknown. In this study, the authors employed microcrystal electron diffraction (MicroED) to reveal its elusive three-dimensional (3D) structure. They find that the drug adopts two distinct conformational states (conformers) within the asymmetric unit. Analysis of hydrogen bonding and packing demonstrated that the hydrophilic groups are embedded within the crystal lattice, resulting in a hydrophobic surface and low water solubility. Structural comparison revealed the presence of trans- and cis- forms in conformers 1 and 2, respectively. Comparison of the structures of Mirabegron alone with that of the drug bound to its receptor, the beta 3 adrenergic receptor (β3AR) suggests that the drug undergoes major conformational change to fit in the receptor agonist binding site. This research highlights the efficacy of MicroED in determining the unknown and polymorphic structures of active pharmaceutical ingredients (APIs) directly from powders.
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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 OpenQuestion graph.