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NMR-Based Approaches for the Identification and Optimization of Inhibitors of Protein–Protein Interactions
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Protein structure determination in solution by NMR spectroscopy.
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
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Analysis of an enzyme-substrate complex by x-ray crystallography and transferred nuclear overhauser enhancement measurements: porcine pancreatic elastase and a hexapeptide
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Fragment-Based Computation of Binding Free Energies by Systematic Sampling
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Second-Site NMR Screening with a Spin-Labeled First Ligand
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Group Epitope Mapping by Saturation Transfer Difference NMR To Identify Segments of a Ligand in Direct Contact with a Protein Receptor
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Design, Synthesis, and Characterization of a Potent, Nonpeptide, Cell-Permeable, Bivalent Smac Mimetic That Concurrently Targets Both the BIR2 and BIR3 Domains in XIAP
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Discovery of Potent Nonpeptide Inhibitors of Stromelysin Using SAR by NMR
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One-Dimensional Relaxation- and Diffusion-Edited NMR Methods for Screening Compounds That Bind to Macromolecules
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SAR and X-ray. A New Approach Combining Fragment-Based Screening and Rational Drug Design: Application to the Discovery of Nanomolar Inhibitors of Src SH2
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NMR-Based Screening with Competition Water−Ligand Observed via Gradient Spectroscopy Experiments: Detection of High-Affinity Ligands
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Identification and Prediction of Promiscuous Aggregating Inhibitors among Known Drugs
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A High-Throughput Screen for Aggregation-Based Inhibition in a Large Compound Library
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Structure–activity relationships by interligand NOE-based design and synthesis of antiapoptotic compounds targeting Bid
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Structural insights into the degradation of Mcl-1 induced by BH3 domains
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HTS Promiscuity Analyses for Accelerating Decision Making
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What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Fragment‐Based Drug Discovery
inferred← citeshttps://doi.org/10.1002/adma.201703009openalex-snapshot
Direct Imaging of Superwetting Behavior on Solid–Liquid–Vapor Triphase Interfaces
inferred← citeshttps://doi.org/10.1002/advs.202410086openalex-snapshot
Expanding the Functions of KHSRP Protein: Insights into DNA G‐Quadruplex Binding
inferred← citeshttps://doi.org/10.1002/ange.201707682openalex-snapshot
Differential Epitope Mapping by STD NMR Spectroscopy To Reveal the Nature of Protein–Ligand Contacts
inferred← citeshttps://doi.org/10.1002/ange.201916257openalex-snapshot
Multicomponent Peptide Stapling as a Diversity‐Driven Tool for the Development of Inhibitors of Protein–Protein Interactions
inferred← citeshttps://doi.org/10.1002/anie.201707682openalex-snapshot
Differential Epitope Mapping by STD NMR Spectroscopy To Reveal the Nature of Protein–Ligand Contacts
inferred← citeshttps://doi.org/10.1002/anie.201916257openalex-snapshot
Multicomponent Peptide Stapling as a Diversity‐Driven Tool for the Development of Inhibitors of Protein–Protein Interactions
inferred← citeshttps://doi.org/10.1002/cbic.201500564openalex-snapshot
New p32/gC1qR Ligands for Targeted Tumor Drug Delivery
inferred← citeshttps://doi.org/10.1002/cbic.202300006openalex-snapshot
Nutlin‐3a‐aa: Improving the Bioactivity of a p53/MDM2 Interaction Inhibitor by Introducing a Solvent‐Exposed Methylene Group
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Unveiling the “Three‐Finger Pharmacophore” Required for p53–MDM2 Inhibition by Saturation‐Transfer Difference (STD) NMR Initial Growth‐Rates Approach
inferred← citeshttps://doi.org/10.1002/cmdc.201500441openalex-snapshot
High‐Throughput Screening (HTS) by NMR Guided Identification of Novel Agents Targeting the Protein Docking Domain of YopH
inferred← citeshttps://doi.org/10.1002/cmdc.201600039openalex-snapshot
The Cell Surface Receptor CD44: NMR‐Based Characterization of Putative Ligands
inferred← citeshttps://doi.org/10.1002/cmdc.201900574openalex-snapshot
Optimized Inhibitors of MDM2 via an Attempted Protein‐Templated Reductive Amination
inferred← citeshttps://doi.org/10.1002/cmdc.202000355openalex-snapshot
Stability and Cell Permeability of Sulfonyl Fluorides in the Design of Lys‐Covalent Antagonists of Protein‐Protein Interactions
inferred← citeshttps://doi.org/10.1002/med.21393openalex-snapshot
Medicinal Chemistry Strategies to Disrupt the p53–MDM2/MDMX Interaction
inferred← citeshttps://doi.org/10.1002/med.21585openalex-snapshot
Emerging roles of allosteric modulators in the regulation of protein‐protein interactions (PPIs): A new paradigm for PPI drug discovery
inferred← citeshttps://doi.org/10.1007/7355_2021_133openalex-snapshot
Protein Labeling and Structure Determination by NMR Spectroscopy
inferred← citeshttps://doi.org/10.1007/978-1-0716-4232-0_2openalex-snapshot
BACE-1 Inhibition for the Treatment of Neurodegenerative Diseases: Rationale, Assay Methodologies, and Reference Compounds
inferred← citeshttps://doi.org/10.1007/978-3-642-35943-9_303-1openalex-snapshot
Protein NMR: Introduction
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Experimental Methods Used for Identifying Small-Molecule Inhibitors of Protein-Protein Interaction
inferred← citeshttps://doi.org/10.1007/978-981-15-9235-5_10openalex-snapshot
Application of FMO to Ligand Design: SBDD, FBDD, and Protein–Protein Interaction
inferred← citeshttps://doi.org/10.1007/978-981-16-1594-8_2openalex-snapshot
Structural Aspects of Protein–Protein Interactions
inferred← citeshttps://doi.org/10.1007/s12551-018-0464-xopenalex-snapshot
The role of small-angle scattering in structure-based screening applications
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12326-1openalex-snapshot
Small-Molecule Inhibitors of Protein–Protein Interactions
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12330-3openalex-snapshot
Label-Free Screening Technologies
inferred← citeshttps://doi.org/10.1016/b978-0-443-16158-2.00003-3openalex-snapshot
Identification and purification of plant secondary metabolite as medicinal raw materials
inferred← citeshttps://doi.org/10.1016/bs.armc.2017.07.002openalex-snapshot
Fragment-Based Lead Discovery
inferred← citeshttps://doi.org/10.1016/bs.arnmr.2018.08.002openalex-snapshot
Applications of Hyperpolarisation and NMR Long-Lived States in Drug Screening
inferred← citeshttps://doi.org/10.1016/bs.mie.2018.09.022openalex-snapshot
Hit-to-Lead: Hit Validation and Assessment
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Localization and functional exploration of leiomodin-2's C-terminal binding sites
inferred← citeshttps://doi.org/10.1016/j.bmc.2022.116879openalex-snapshot
Fragment hopping protocol for the design of small-molecule protein–protein interaction inhibitors
inferred← citeshttps://doi.org/10.1016/j.bpj.2016.01.033openalex-snapshot
Cationic Peptides and Peptidomimetics Bind Glycosaminoglycans as Potential Sema3A Pathway Inhibitors
inferred← citeshttps://doi.org/10.1016/j.bpj.2026.03.033openalex-snapshot
Prediction accuracy of ligand binding kinetics
inferred← citeshttps://doi.org/10.1016/j.cbpa.2015.10.032openalex-snapshot
Advances in discovering small molecules to probe protein function in a systems context
inferred← citeshttps://doi.org/10.1016/j.chembiol.2015.06.011openalex-snapshot
Design and Characterization of Novel EphA2 Agonists for Targeted Delivery of Chemotherapy to Cancer Cells
inferred← citeshttps://doi.org/10.1016/j.chembiol.2017.01.006openalex-snapshot
Potent and Selective EphA4 Agonists for the Treatment of ALS
inferred← citeshttps://doi.org/10.1016/j.drudis.2020.07.012openalex-snapshot
Noncellular screening for the discovery of protein–protein interaction modulators
inferred← citeshttps://doi.org/10.1016/j.ejmech.2016.11.029openalex-snapshot
Rational design and synthesis of 1,5-disubstituted tetrazoles as potent inhibitors of the MDM2-p53 interaction
inferred← citeshttps://doi.org/10.1016/j.ejmech.2018.03.009openalex-snapshot
Identification of small-molecule inhibitors of USP2a
inferred← citeshttps://doi.org/10.1016/j.ejmech.2019.111588openalex-snapshot
Hitting on the move: Targeting intrinsically disordered protein states of the MDM2-p53 interaction
inferred← citeshttps://doi.org/10.1016/j.ejmech.2020.112376openalex-snapshot
Recent advance on PTP1B inhibitors and their biomedical applications
inferred← citeshttps://doi.org/10.1016/j.ejmech.2023.115500openalex-snapshot
Small molecule-mediated targeting of microRNAs for drug discovery: Experiments, computational techniques, and disease implications
inferred← citeshttps://doi.org/10.1016/j.ejmech.2025.118388openalex-snapshot
Exploring advanced methodologies for NS5 methyltransferase targeted drug discovery
inferred← citeshttps://doi.org/10.1016/j.ijbiomac.2019.12.171openalex-snapshot
NMR-based investigation into protein phosphorylation
inferred← citeshttps://doi.org/10.1016/j.jmb.2020.02.029openalex-snapshot
Unraveling Allostery in a Knotted Minimal Methyltransferase by NMR Spectroscopy
inferred← citeshttps://doi.org/10.1016/j.jmgm.2017.02.013openalex-snapshot
Application of the fragment molecular orbital method analysis to fragment-based drug discovery of BET (bromodomain and extra-terminal proteins) inhibitors
inferred← citeshttps://doi.org/10.1016/j.jpba.2019.112899openalex-snapshot
Advanced analytical methodologies in Alzheimer’s disease drug discovery
inferred← citeshttps://doi.org/10.1016/j.pharmthera.2022.108110openalex-snapshot
Early-stage structure-based drug discovery for small GTPases by NMR spectroscopy
inferred← citeshttps://doi.org/10.1016/j.tips.2016.05.008openalex-snapshot
Systematic Targeting of Protein–Protein Interactions
inferred← citeshttps://doi.org/10.1021/acs.analchem.1c00601openalex-snapshot
How to Develop and Prove High-Efficiency Selection of Ligands from Oligonucleotide Libraries: A Universal Framework for Aptamers and DNA-Encoded Small-Molecule Ligands
inferred← citeshttps://doi.org/10.1021/acs.analchem.5c01494openalex-snapshot
Cell Permeability and Target Engagement of Middle-Sized Molecules Quantified by In-Cell NMR
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.0c01285openalex-snapshot
Therapeutic Targeting of MMP-12 for the Treatment of Chronic Obstructive Pulmonary Disease
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.1c00005openalex-snapshot
Design, Synthesis, and Structural Characterization of Lysine Covalent BH3 Peptides Targeting Mcl-1
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.1c00608openalex-snapshot
NMR-Guided Design of Potent and Selective EphA4 Agonistic Ligands
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.3c00467openalex-snapshot
Characterization of a Potent and Orally Bioavailable Lys-Covalent Inhibitor of Apoptosis Protein (IAP) Antagonist
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.3c01073openalex-snapshot
Mixture-Based Screening of Focused Combinatorial Libraries by NMR: Application to the Antiapoptotic Protein hMcl-1
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.3c02222openalex-snapshot
A Novel NMR-Based Protocol to Screen Ultralow Molecular Weight Fragments
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.4c00277openalex-snapshot
Histidine-Covalent Stapled Alpha-Helical Peptides Targeting hMcl-1
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.4c01541openalex-snapshot
Covalent Targeting of Histidine Residues with Aryl Fluorosulfates: Application to Mcl-1 BH3 Mimetics
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.4c03115openalex-snapshot
Target Engagement Assays in Early Drug Discovery
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5b01114openalex-snapshot
Ligand-Orientation Based Fragment Selection in STD NMR Screening
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.9b00561openalex-snapshot
Covalent Inhibitors of Protein–Protein Interactions Targeting Lysine, Tyrosine, or Histidine Residues
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.9b01108openalex-snapshot
Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy
inferred← citeshttps://doi.org/10.1021/acs.jpcb.5c05704openalex-snapshot
The Butterfly Structure of Leucomethylene Blue Results in Weak Binding to Single- or Double-Stranded DNA
inferred← citeshttps://doi.org/10.1021/acs.langmuir.5c05185openalex-snapshot
Photocontrolled Liquid Crystal Droplets and Solution Tuning for Sub-nanomolar Protein Detection
inferred← citeshttps://doi.org/10.1021/acsaem.6c01616openalex-snapshot
Pb−S Anchored CsPbBr3 Nanorods with Preserved 1D Morphology and Enhanced Stability in Water for Visible-Light Photocatalysis
inferred← citeshttps://doi.org/10.1021/acscatal.5c07877openalex-snapshot
A Convergent, One-Step Biocatalytic Cascade for the Synthesis of Structurally Diverse Noncanonical Amino Acids
inferred← citeshttps://doi.org/10.1021/acschembio.2c00583openalex-snapshot
Exploring the Surface of the Ectodomain of the PD-L1 Immune Checkpoint with Small-Molecule Fragments
inferred← citeshttps://doi.org/10.1021/acschembio.6b00596openalex-snapshot
A Unique Mdm2-Binding Mode of the 3-Pyrrolin-2-one- and 2-Furanone-Based Antagonists of the p53-Mdm2 Interaction
inferred← citeshttps://doi.org/10.1021/acschembio.6b00730openalex-snapshot
Protein-Observed Fluorine NMR Is a Complementary Ligand Discovery Method to 1H CPMG Ligand-Observed NMR
inferred← citeshttps://doi.org/10.1021/acschembio.7b00717openalex-snapshot
Enthalpy-Based Screening of Focused Combinatorial Libraries for the Identification of Potent and Selective Ligands
inferred← citeshttps://doi.org/10.1021/acsmedchemlett.4c00540openalex-snapshot
Beyond Isotopic Labeling: Expanding the Reach of Protein-Detect NMR in Lead Discovery
inferred← citeshttps://doi.org/10.1021/acsmedchemlett.7b00483openalex-snapshot
HTS by NMR for the Identification of Potent and Selective Inhibitors of Metalloenzymes
inferred← citeshttps://doi.org/10.1021/cb500249jopenalex-snapshot
Versatile Cardiac Troponin Chimera for Muscle Protein Structural Biology and Drug Discovery
inferred← citeshttps://doi.org/10.1021/jacs.4c04000openalex-snapshot
Rapid Protein–Ligand Affinity Determination by Photoinduced Hyperpolarized NMR
inferred← citeshttps://doi.org/10.1021/jacs.6b00328openalex-snapshot
Finding the Right Candidate for the Right Position: A Fast NMR-Assisted Combinatorial Method for Optimizing Nucleic Acids Binders
inferred← citeshttps://doi.org/10.1021/jacs.6b00416openalex-snapshot
Sensitive NMR Approach for Determining the Binding Mode of Tightly Binding Ligand Molecules to Protein Targets
inferred← citeshttps://doi.org/10.1021/jp5099156openalex-snapshot
Ligand Characterization of Covalently Functionalized Mesoporous Silica Nanoparticles: An NMR Toolbox Approach
inferred← citeshttps://doi.org/10.1038/s41598-019-48826-6openalex-snapshot
Comprehensive in vitro characterization of PD-L1 small molecule inhibitors
inferred← citeshttps://doi.org/10.1038/s41598-021-95424-6openalex-snapshot
Bioactive recombinant human oncostatin M for NMR-based screening in drug discovery
inferred← citeshttps://doi.org/10.1038/s42004-022-00755-8openalex-snapshot
Binding-driven reactivity attenuation enables NMR identification of selective drug candidates for nucleic acid targets
inferred← citeshttps://doi.org/10.1039/9781788010016-00044openalex-snapshot
Receptor-based NMR Techniques in Drug Discovery
inferred← citeshttps://doi.org/10.1039/9781788016544-00049openalex-snapshot
High Throughput Screening Methods for PPI Inhibitor Discovery
inferred← citeshttps://doi.org/10.1039/c5cs00252dopenalex-snapshot
State-of-the-art strategies for targeting protein–protein interactions by small-molecule inhibitors
inferred← citeshttps://doi.org/10.1039/c7md00058hopenalex-snapshot
Scaffold hopping via ANCHOR.QUERY: β-lactams as potent p53-MDM2 antagonists
inferred← citeshttps://doi.org/10.1039/d0cc02988bopenalex-snapshot
Detecting protein–protein interactions by Xe-129 NMR
inferred← citeshttps://doi.org/10.1073/pnas.1616100114openalex-snapshot
Inhibition of radiation-induced glioblastoma invasion by genetic and pharmacological targeting of MDA-9/Syntenin
inferred← citeshttps://doi.org/10.1080/17460441.2017.1280456openalex-snapshot
Screening-based approaches to identify small molecules that inhibit protein–protein interactions
inferred← citeshttps://doi.org/10.1093/jxb/eraa440openalex-snapshot
Nitric oxide and hydrogen sulfide modulate the NADPH-generating enzymatic system in higher plants
inferred← citeshttps://doi.org/10.1109/iceect61758.2024.10739146openalex-snapshot
A Comparative Analysis of GCN and GAT for Predicting Protein-Protein Interactions
inferred← citeshttps://doi.org/10.1111/febs.14774openalex-snapshot
A fluorinated indole‐based MDM 2 antagonist selectively inhibits the growth of p53wt osteosarcoma cells
inferred← citeshttps://doi.org/10.1155/2019/2796746openalex-snapshot
3-Mercaptopropionic, 4-Mercaptobenzoic, and Oleic Acid-Capped CdSe Quantum Dots: Interparticle Distance, Anchoring Groups, and Surface Passivation
inferred← citeshttps://doi.org/10.18632/oncotarget.8719openalex-snapshot
Necrosis-inducing peptide has the beneficial effect on killing tumor cells through neuropilin (NRP-1) targeting
inferred← citeshttps://doi.org/10.2174/1568026615666150519102459openalex-snapshot
High-Throughput Screening by Nuclear Magnetic Resonance (HTS by NMR) for the Identification of PPIs Antagonists
inferred← citeshttps://doi.org/10.3390/ijms19092470openalex-snapshot
Specific Antibody Fragment Ligand Traps Blocking FGF1 Activity
inferred← citeshttps://doi.org/10.3390/molecules21070854openalex-snapshot
Process of Fragment-Based Lead Discovery—A Perspective from NMR
inferred← citeshttps://doi.org/10.3390/molecules23010148openalex-snapshot
Current NMR Techniques for Structure-Based Drug Discovery
inferred← citeshttps://doi.org/10.3390/molecules23081937openalex-snapshot
Probing Protein-Protein Interactions Using Asymmetric Labeling and Carbonyl-Carbon Selective Heteronuclear NMR Spectroscopy
inferred← citeshttps://doi.org/10.3390/molecules25133017openalex-snapshot
Competition NMR for Detection of Hit/Lead Inhibitors of Protein–Protein Interactions
inferred← citeshttps://doi.org/10.3390/molecules25204597openalex-snapshot
NMR as a “Gold Standard” Method in Drug Design and Discovery
inferred← citeshttps://doi.org/10.3390/molecules27113454openalex-snapshot
Biphenyl Ether Analogs Containing Pomalidomide as Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Cell Death-Ligand 1 Interaction
inferred← citeshttps://doi.org/10.3390/ph15020137openalex-snapshot
Protein-Protein Interaction Inhibitors Targeting the Eph-Ephrin System with a Focus on Amino Acid Conjugates of Bile Acids
inferred← citeshttps://doi.org/10.3390/polym14142853openalex-snapshot
Biochemical Interactions through Microscopic Techniques: Structural and Molecular Characterization
inferred← citeshttps://doi.org/10.4155/fmc-2018-0312openalex-snapshot
NMR Investigation of Protein–Ligand Interactions for G-Protein Coupled Receptors
inferred← citeshttps://doi.org/10.70675/6952dbaezebb9z4212z9c01z6ea8f2190a06openalex-snapshot
NMR study of 14-3-3 protein-protein interactions and modulation thereof by small molecules
inferred← citeshttps://doi.org/10.70675/af61ef7cz4fe8z4ac9z8eb7z75b5509c33dcopenalex-snapshot
Selective modulation of the Protein Kinase CK2 : discovery, syntheses and characterization of non-ATP site inhibitors of CK2
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