ArticleChemistry (Weinheim an der Bergstrasse, Germany)2019
π-Hole Interactions Involving Nitro Aromatic Ligands in Protein Structures.
Article in Chemistry (Weinheim an der Bergstrasse, Germany), 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 23 papers.
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Who cites it
23 citing papers in PubMed, 62 citations in OpenAlex.
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- Lighting up Polynitrodopamine: from Electropolymerization to Photopatterning of Ultrathin Films.ACS applied materials & interfaces · 2026Article
- Slow Dissociation of Nitazenes from thebioRxiv : the preprint server for biology · 2026Article
- Molecular Electrostatic Surface Potential: A Predictive Framework for Noncovalent Interactions and Adsorption Characteristics in Molecular Entities.International journal of molecular sciences · 2026Review
- Reversible Myeloperoxidase Inhibition by Benzodioxole Carboxamides: Insights from In Silico and InVitro Studies.Cell biochemistry and biophysics · 2026Article
- Identification of a New Interesting BAG3 Modulator Able to Disrupt Cancer-Related Pathways.ChemMedChem · 2025Article
- A putative binding model of nitazene derivatives at the μ-opioid receptor.Neuropharmacology · 2025Article
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- Synthesis and Biological Evaluation of New Chalcogen Semicarbazone (Journal of medicinal chemistry · 2024Article
- Unconventional Radical and Radical-Hole Site-Based Interactions in Halogen-Bearing Dimers and Trimers: A Comparative Study.ACS omega · 2024Article
- Synthesis, Structural Elucidation,ACS omega · 2024Article
- The borderless world of chemical bonding across the van der Waals crust and the valence region.Chemical science · 2023Article
- Sigma-Hole and Lone-Pair-Hole Site-Based Interactions of Seesaw Tetravalent Chalcogen-Bearing Molecules with Lewis Bases.ACS omega · 2023Article
- Switching from Aromatase Inhibitors to Dual Targeting Flavonoid-Based Compounds for Breast Cancer Treatment.Molecules (Basel, Switzerland) · 2023Article
- 1-Methyl-5-nitro-imidazolium chloride.IUCrData · 2022Article
- Utilization of the zebrafish model to unravel the harmful effects of biomass burning during Amazonian wildfires.Scientific reports · 2021Article
- DFT and IsoStar Analyses to Assess the Utility of σ- and π-Hole Interactions for Crystal Engineering.Chemphyschem : a European journal of chemical physics and physical chemistry · 2021Article
- Enantioseparation of 5,5'-Dibromo-2,2'-Dichloro-3-Selanyl-4,4'-Bipyridines on Polysaccharide-Based Chiral Stationary Phases: Exploring Chalcogen Bonds in Liquid-Phase Chromatography.Molecules (Basel, Switzerland) · 2021Article
- Structural Features of Small Molecules Targeting the RNA Repeat Expansion That Causes Genetically Defined ALS/FTD.ACS chemical biology · 2020Article
Corrections and comments
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Authors and funding
3 authors at 2 institutions in 3 countries.
Funding
Abstract
Studying noncanonical intermolecular interactions between a ligand and a protein constitutes an emerging research field. Identifying synthetically accessible molecular fragments that can engage in intermolecular interactions is a key objective in this area. Here, it is shown that so-called "π-hole interactions" are present between the nitro moiety in nitro aromatic ligands and lone pairs within protein structures (water and protein carbonyls and sulfurs). Ample structural evidence was found in a PDB analysis and computations reveal interaction energies of about -5 kcal mol
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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.