ArticleIUBMB life2020
C─H⋯O hydrogen bonds in kinase-inhibitor interfaces.
Article in IUBMB life, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed.
- PockLigGPT: Pocket-Sequence-Conditioned Molecular Generation with GPTs and RL.Journal of chemical information and modeling · 2026Article
- Structure-Based Identification of JAK1-Selective Candidates Using Ensemble Docking and Interaction Analysis.Pharmaceuticals (Basel, Switzerland) · 2026Article
- Parallels between the chloro and methoxy groups for potency optimization.RSC medicinal chemistry · 2026Article
- Hidden Interactions: Quantum Perspectives in Drug Design.Methods in molecular biology (Clifton, N.J.) · 2026Review
- Identification of novel DYRK1A inhibitors as treatment options for alzheimer's disease through comprehensive in silico approaches.Scientific reports · 2025Article
- Scaffold-Hopping Design and Synthesis of Thieno[3,2-International journal of molecular sciences · 2025Article
- AI-DrivenJournal of medicinal chemistry · 2025Article
- CDK2 and CDK4: Cell Cycle Functions Evolve Distinct, Catalysis-Competent Conformations, Offering Drug Targets.JACS Au · 2024Article
- Crystal Clear: Decoding Isocyanide Intermolecular Interactions through Crystallography.The Journal of organic chemistry · 2024Article
- Synthesis and evaluation of potent (iso)ellipticine-based inhibitors of MYLK4 accessedRSC advances · 2023Article
- C-H Groups as Donors in Hydrogen Bonds: A Historical Overview and Occurrence in Proteins and Nucleic Acids.International journal of molecular sciences · 2023Review
- Discovery of a novel cyclin-dependent kinase 8 inhibitor with an oxindole core for anti-inflammatory treatment.Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie · 2022Article
Corrections and comments
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Authors and funding
3 authors.
Funding
Abstract
C─H⋯O hydrogen bonds constitute a unique class of cohesive interactions. Their properties are similar to those of canonical H-bonds, although their energy is significantly lower, typically in the 0.5-2.5 kcal/mol range. Polarised C─H groups, such as those adjacent to electronegative groups, or within aromatic moieties, are particularly strong donors. C─H⋯O bonds are ubiquitous in nucleic acids and in proteins, notably stabilizing the β-sheet secondary structure. They have also been observed in numerous protein-ligand interactions. Here, we analysed crystal structures, deposited in the Protein Data Bank, of complexes of FDA-approved protein kinase inhibitors with cognate kinases, to assess the possible role of C─H
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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.