ArticleNature chemistry2021
Illuminating the dark conformational space of macrocycles using dominant rotors.
Article in Nature chemistry, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed, 63 citations in OpenAlex.
- Chemical and ribosomal synthesis of atropisomeric and macrocyclic peptides with embedded quinolines.Nature chemistry · 2026Article
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- Metallo-azapeptides: Controlled Metal Chelation to Peptide Backbone Nitrogen.Journal of the American Chemical Society · 2025Article
- Controlled interconversion of macrocyclic atropisomers via defined intermediates.Nature communications · 2024Article
- Photoinduced dual bond rotation of a nitrogen-containing system realized by chalcogen substitution.Nature chemistry · 2024Article
- Targeted sampling of natural product space to identify bioactive natural product-like polyketide macrolides.Nature communications · 2024Article
- Exploring the Inhibitory Potential ofTheScientificWorldJournal · 2024Article
- Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability.Journal of the American Chemical Society · 2023Article
- Nitrilium ion trapping as a strategy to access structurally diverse heterobiaryl-containing peptide macrocycles.Chemical science · 2023Article
- A Model for the Rapid Assessment of Solution Structures for 24-Atom Macrocycles: The Impact of β-Branched Amino Acids on Conformation.The Journal of organic chemistry · 2023Article
- MacFrag: segmenting large-scale molecules to obtain diverse fragments with high qualities.Bioinformatics (Oxford, England) · 2023Article
- The occurrence of ansamers in the synthesis of cyclic peptides.Nature communications · 2022Article
- Directed Evolution of Flavin-Dependent Halogenases for Site- and Atroposelective Halogenation of 3-Aryl-4(3Journal of the American Chemical Society · 2022Article
- Mechanically axially chiral catenanes and noncanonical mechanically axially chiral rotaxanes.Nature chemistry · 2022Article
- Well-Tempered Metadynamics Simulations Predict the Structural and Dynamic Properties of a Chiral 24-Atom Macrocycle in Solution.ACS omega · 2022Article
- Navigating complex peptide structures using macrocycle conformational maps.RSC chemical biology · 2022Article
- Conformational interplay in hybrid peptide-helical aromatic foldamer macrocycles.Chemical science · 2021Article
- High-Yielding Flow Synthesis of a Macrocyclic Molecular Hinge.Journal of the American Chemical Society · 2021Article
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Authors and funding
7 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Three-dimensional conformation is the primary determinant of molecular properties. The thermal energy available at room temperature typically equilibrates the accessible conformational states. Here, we introduce a method for isolating unique and previously understudied conformations of macrocycles. The observation of unusual conformations of 16- to 22-membered rings has been made possible by controlling their interconversion using dominant rotors, which represent tunable atropisomeric constituents with relatively high rotational barriers. Density functional theory and in situ NMR measurements suggest that dominant rotor candidates for the amino-acid-based structures considered here should possess a rotational energy barrier of at least 25 kcal mol
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