ArticleAngewandte Chemie (International ed. in English)2020
PI by NMR: Probing CH-π Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Article in Angewandte Chemie (International ed. in English), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 34 papers.
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Who cites it
34 citing papers in PubMed, 70 citations in OpenAlex.
- Investigations of Intramolecular and Intermolecular Noncovalent Interactions in Alkaline Earth Metal Complexes ofInorganic chemistry · 2026Article
- From vibrations to function: Spectroscopic detection and quantification of π-π stacking in drug-responsive protein complexes.Science advances · 2026Article
- Tuning Covalent Organic Frameworks via Nucleophilic Aromatic Substitution.Small science · 2026Article
- Probing Ultrastrong Through-Space Electronic Coupling in Donor-Acceptor Systems at the Single-Molecule Level.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- Hidden Interactions: Quantum Perspectives in Drug Design.Methods in molecular biology (Clifton, N.J.) · 2026Review
- Leveraging relaxation-optimizedNature chemistry · 2025Article
- NMR-driven structure-based drug discovery by unveiling molecular interactions.Communications chemistry · 2025Review
- From Weak Interactions to High Stability: Deciphering the Streptavidin-Biotin Interaction through NMR and Computational Analysis.The journal of physical chemistry. B · 2025Article
- The energetic landscape of CH-π interactions in protein-carbohydrate binding.Chemical science · 2025Article
- Synthesis of aChembiochem : a European journal of chemical biology · 2025Article
- Article
- UCBShift 2.0: Bridging the Gap from Backbone to Side Chain Protein Chemical Shift Prediction for Protein Structures.Journal of the American Chemical Society · 2024Article
- Probing Protein-Ligand Methyl-π Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups.Journal of medicinal chemistry · 2024Article
- Molecular organization of fibroin heavy chain and mechanism of fibre formation in Bombyx mori.Communications biology · 2024Article
- Characterization of the interaction between the Sec61 translocon complex and ppαF using optical tweezers.Protein science : a publication of the Protein Society · 2024Article
- Article
- Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.Science (New York, N.Y.) · 2024Article
- Synthesis of aJournal of biomolecular NMR · 2024Article
- Tunable CH/π Interactions within a Tryptophan Zipper Motif to Stabilize the Fold of Long β-Hairpin Peptides.ACS chemical biology · 2023Article
- Strong structuring arising from weak cooperative O-H···π and C-H···O hydrogen bonding in benzene-methanol solution.Nature communications · 2023Article
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Authors and funding
14 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
While CH-π interactions with target proteins are crucial determinants for the affinity of arguably every drug molecule, no method exists to directly measure the strength of individual CH-π interactions in drug-protein complexes. Herein, we present a fast and reliable methodology called PI (π interactions) by NMR, which can differentiate the strength of protein-ligand CH-π interactions in solution. By combining selective amino-acid side-chain labeling with
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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.