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A Step toward NRF2‐DNA Interaction Inhibitors by Fragment‐Based NMR Methods

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Outgoing claims: the papers this work cites, builds on, or argues with.

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Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94
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Discovery of Small Molecules that Bind to K‐Ras and Inhibit Sos‐Mediated Activation
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Discovery of Small Molecules that Bind to K‐Ras and Inhibit Sos‐Mediated Activation
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A Step toward NRF2‐DNA Interaction Inhibitors by Fragment‐Based NMR Methods
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Halogen bonding (X‐bonding): A biological perspective
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Calibration of ring-current effects in proteins and nucleic acids
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NMRPipe: A multidimensional spectral processing system based on UNIX pipes
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Halogen bonding: the σ-hole
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Protein backbone and sidechain torsion angles predicted from NMR chemical shifts using artificial neural networks
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CcpNmr AnalysisAssign: a flexible platform for integrated NMR analysis
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Small-Molecule Inhibitors of Protein-Protein Interactions: Progressing toward the Reality
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Overcoming Chemical, Biological, and Computational Challenges in the Development of Inhibitors Targeting Protein-Protein Interactions
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Fragment screening to predict druggability (ligandability) and lead discovery success
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The next level in chemical space navigation: going far beyond enumerable compound libraries
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Luteolin inhibits Nrf2 leading to negative regulation of the Nrf2/ARE pathway and sensitization of human lung carcinoma A549 cells to therapeutic drugs
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Dual roles of NRF2 in tumor prevention and progression: Possible implications in cancer treatment
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Structural Basis for Defects of Keap1 Activity Provoked by Its Point Mutations in Lung Cancer
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Transcription Factor Inhibition: Lessons Learned and Emerging Targets
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Targeting Transcription Factors in Cancer
inferredcites →https://doi.org/10.1016/s0959-440x(02)00289-0openalex-snapshot
Coupling of folding and binding for unstructured proteins
inferredcites →https://doi.org/10.1021/acs.jctc.7b00125openalex-snapshot
The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design
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Virtual Chemical Libraries
inferredcites →https://doi.org/10.1021/acs.jmedchem.8b01292openalex-snapshot
qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps
inferredcites →https://doi.org/10.1021/acschembio.5b00448openalex-snapshot
A Small Molecule Inhibits Deregulated NRF2 Transcriptional Activity in Cancer
inferredcites →https://doi.org/10.1021/acschembio.6b00651openalex-snapshot
Small Molecule Inhibitor of NRF2 Selectively Intervenes Therapeutic Resistance in KEAP1-Deficient NSCLC Tumors
inferredcites →https://doi.org/10.1021/cb500071vopenalex-snapshot
A Small Molecule Compound Targeting STAT3 DNA-Binding Domain Inhibits Cancer Cell Proliferation, Migration, and Invasion
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LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters
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Halogen Interactions in Protein–Ligand Complexes: Implications of Halogen Bonding for Rational Drug Design
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Performance of Protein–Ligand Docking with Simulated Chemical Shift Perturbations
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Which Three-Dimensional Characteristics Make Efficient Inhibitors of Protein–Protein Interactions?
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Steering Protein−Ligand Docking with Quantitative NMR Chemical Shift Perturbations
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HADDOCK: A Protein−Protein Docking Approach Based on Biochemical or Biophysical Information
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Interplay between Conformational Entropy and Solvation Entropy in Protein–Ligand Binding
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Druggability Indices for Protein Targets Derived from NMR-Based Screening Data
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Discovery of Small-Molecule Inhibitors Selectively Targeting the DNA-Binding Domain of the Human Androgen Receptor
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Determination of Protein–Ligand Binding Modes Using Complexation-Induced Changes in 1H NMR Chemical Shift
inferredcites →https://doi.org/10.1023/a:1026508025631openalex-snapshot
Alignment of weakly interacting molecules to protein surfaces using simulations of chemical shift perturbations
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Comprehensive genomic characterization of squamous cell lung cancers
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Distinct patterns of somatic genome alterations in lung adenocarcinomas and squamous cell carcinomas
inferredcites →https://doi.org/10.1038/nprot.2007.406openalex-snapshot
Version 1.2 of the Crystallography and NMR system
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Transcription factors as targets for cancer therapy
inferredcites →https://doi.org/10.1038/nrd.2016.109openalex-snapshot
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Proton Magnetic Resonance of Hydrocarbons
inferredcites →https://doi.org/10.1073/pnas.1014275108openalex-snapshot
Brusatol enhances the efficacy of chemotherapy by inhibiting the Nrf2-mediated defense mechanism
inferredcites →https://doi.org/10.1073/pnas.1116510109openalex-snapshot
Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity
inferredcites →https://doi.org/10.1073/pnas.1904529116openalex-snapshot
Drugging an undruggable pocket on KRAS
inferredcites →https://doi.org/10.1073/pnas.91.21.9926openalex-snapshot
Isolation of NF-E2-related factor 2 (Nrf2), a NF-E2-like basic leucine zipper transcriptional activator that binds to the tandem NF-E2/AP1 repeat of the beta-globin locus control region.
inferredcites →https://doi.org/10.1073/pnas.95.15.8455openalex-snapshot
The solution structure of the DNA-binding domain of Skn-1
inferredcites →https://doi.org/10.1093/bioinformatics/btl589openalex-snapshot
ARIA2: Automated NOE assignment and data integration in NMR structure calculation
inferredcites →https://doi.org/10.1093/carcin/bgn095openalex-snapshot
Nrf2 enhances resistance of cancer cells to chemotherapeutic drugs, the dark side of Nrf2
inferredcites →https://doi.org/10.1107/s0907444904011679openalex-snapshot
PRODRG: a tool for high-throughput crystallography of protein–ligand complexes
inferredcites →https://doi.org/10.1107/s0907444998003254openalex-snapshot
Crystallography & NMR System: A New Software Suite for Macromolecular Structure Determination
inferredcites →https://doi.org/10.1111/j.1365-2443.2006.00965.xopenalex-snapshot
Predictive base substitution rules that determine the binding and transcriptional specificity of Maf recognition elements
inferredcites →https://doi.org/10.1128/mcb.00708-09openalex-snapshot
Structural Basis of Alternative DNA Recognition by Maf Transcription Factors
inferredcites →https://doi.org/10.1139/v60-040openalex-snapshot
CHEMICAL SHIFTS IN THE NUCLEAR MAGNETIC RESONANCE SPECTRA OF MOLECULES CONTAINING POLAR GROUPS
inferredcites →https://doi.org/10.1146/annurev-pharmtox-010818-021856openalex-snapshot
Modulating NRF2 in Disease: Timing Is Everything
inferredcites →https://doi.org/10.1155/2019/8592348openalex-snapshot
Potential Applications of NRF2 Inhibitors in Cancer Therapy
inferredcites →https://doi.org/10.1158/0008-5472.can-18-2723openalex-snapshot
NRF2 Activation in Cancer: From DNA to Protein
inferredcites →https://doi.org/10.1186/1476-4598-12-124openalex-snapshot
Frequent concerted genetic mechanisms disrupt multiple components of the NRF2 inhibitor KEAP1/CUL3/RBX1 E3-ubiquitin ligase complex in thyroid cancer
inferredcites →https://doi.org/10.1186/s12964-019-0435-2openalex-snapshot
Dual roles and therapeutic potential of Keap1-Nrf2 pathway in pancreatic cancer: a systematic review
inferredcites →https://doi.org/10.1371/journal.pmed.0030420openalex-snapshot
Dysfunctional KEAP1–NRF2 Interaction in Non-Small-Cell Lung Cancer
inferredcites →https://doi.org/10.2210/pdb6dmj/pdbopenalex-snapshot
A multiconformer ligand model of inhibitor 53W bound to CREB binding protein bromodomain

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Pyrimethamine inhibits mutant NRF2 as a molecular glue
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Genotypic and Phenotypic Diversity as a Function of CRISPR-Directed Gene Knock-Out of NRF2 in Pancreatic Adenocarcinoma Cells, a Feasibility Study
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Pyrimethamine Restores KEAP1-Mediated Degradation of Select NRF2 Mutants in Esophageal Squamous Cell Carcinoma
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