ArticleAdvanced biology2024
Polymorphic Structure Determination of the Macrocyclic Drug Paritaprevir by MicroED.
Article in Advanced biology, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 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
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
14 citing papers in PubMed, 12 citations in OpenAlex.
- Article
- Conformational Trajectory of the Molecular Chameleon Grazoprevir From Formulation to Target-Bound.Chemistry (Weinheim an der Bergstrasse, Germany) · 2026Article
- Review
- Discovery of Oxyacanthine Dihydrochloride Monohydrate Polymorphs from Obfuscated Samples by Microcrystal Electron Diffraction.ChemMedChem · 2026Article
- Microcrystal Electron Diffraction-Guided Discovery of Fungal Metabolites.Journal of the American Chemical Society · 2025Article
- Discovery of oxyacanthine dihydrochloride monohydrate polymorphs from obfuscated samples by MicroED.bioRxiv : the preprint server for biology · 2025Article
- Standards for MicroED.Acta crystallographica. Section C, Structural chemistry · 2025Article
- Molecular chameleons adaptability in target binding.Structural dynamics (Melville, N.Y.) · 2025Article
- Ligand Screening and Discovery Using Cocktail Soaking and Automated Microcrystal Electron Diffraction.ChemMedChem · 2025Article
- Unraveling atomic complexity from frozen samples.Structural dynamics (Melville, N.Y.) · 2025Article
- Ligand Screening and Discovery using Cocktail Soaking and Automated MicroED.bioRxiv : the preprint server for biology · 2025Article
- An Updated Structure of Oxybutynin Hydrochloride.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2024Article
- Uncovering the Elusive Structures and Mechanisms of Prevalent Antidepressants.Advanced therapeutics · 2024Article
- An Updated Structure of Oxybutynin Hydrochloride.bioRxiv : the preprint server for biology · 2024Article
Corrections and comments
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Authors and funding
4 authors at 3 institutions in 2 countries.
Funding
Abstract
Paritaprevir is an orally bioavailable, macrocyclic drug used for treating chronic Hepatitis C virus (HCV) infection. Its structures have been elusive to the public until recently when one of the crystal forms is solved by microcrystal electron diffraction (MicroED). In this work, the MicroED structures of two distinct polymorphic crystal forms of paritaprevir are reported from the same experiment. The different polymorphs show conformational changes in the macrocyclic core, as well as the cyclopropyl sulfonamide and methyl pyrazinamide substituents. Molecular docking shows that one of the conformations fits well into the active site pocket of the HCV non-structural 3/4A (NS3/4A) serine protease target, and can interact with the pocket and catalytic triad via hydrophobic interactions and hydrogen bonds. These results can provide further insight for optimization of the binding of acyl sulfonamide inhibitors to the HCV NS3/4A serine protease. In addition, this also demonstrates the opportunity to derive different polymorphs and distinct macrocycle conformations from the same experiments using MicroED.
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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.