ReviewProgress in biophysics and molecular biology
NMR approaches in structure-based lead discovery: recent developments and new frontiers for targeting multi-protein complexes.
Review in Progress in biophysics and molecular biology. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 30 papers.
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Who cites it
30 citing papers in PubMed.
- Methods to Study the Molecular Mechanism and Drive the Design of Protein Degraders.Chemical reviews · 2026Review
- How does NMR support SARS-CoV-2 protein-ligand interaction studies?Analytical and bioanalytical chemistry · 2026Review
- Target Engagement Assays in Early Drug Discovery.Journal of medicinal chemistry · 2025Review
- Probing Protein-Ligand Methyl-π Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups.Journal of medicinal chemistry · 2024Article
- α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2.RSC medicinal chemistry · 2023Article
- Extract2Chip-Bypassing Protein Purification in Drug Discovery Using Surface Plasmon Resonance.Biosensors · 2023Article
- Detecting and Characterizing Interactions of Metabolites with Proteins by Saturation Transfer Difference Nuclear Magnetic Resonance (STD NMR) Spectroscopy.Methods in molecular biology (Clifton, N.J.) · 2023Article
- Small protein complex prediction algorithm based on protein-protein interaction network segmentation.BMC bioinformatics · 2022Article
- Automated Determination of Nuclear Magnetic Resonance Chemical Shift Perturbations in Ligand Screening Experiments: The PICASSO Web Server.Journal of chemical information and modeling · 2021Article
- The Growing Importance of Chirality in 3D Chemical Space Exploration and Modern Drug Discovery Approaches for Hit-ID: Topical Innovations.ACS medicinal chemistry letters · 2021Article
- Investigation of lipase-ligand interactions in porcine pancreatic extracts by microscale thermophoresis.Analytical and bioanalytical chemistry · 2021Article
- A Two-Armed Probe for In-Cell DEER Measurements on Proteins*.Chemistry (Weinheim an der Bergstrasse, Germany) · 2020Article
- NMR in target driven drug discovery: why not?Journal of biomolecular NMR · 2020Article
- CcpNmr AnalysisScreen, a new software programme with dedicated automated analysis tools for fragment-based drug discovery by NMR.Journal of biomolecular NMR · 2020Article
- NMR as a "Gold Standard" Method in Drug Design and Discovery.Molecules (Basel, Switzerland) · 2020Review
- Review
- Advances in Molecular Dynamics Simulations and Enhanced Sampling Methods for the Study of Protein Systems.International journal of molecular sciences · 2020Review
- Molecular Structure, Binding Affinity, and Biological Activity in the Epigenome.International journal of molecular sciences · 2020Review
- Concepts and Core Principles of Fragment-Based Drug Design.Molecules (Basel, Switzerland) · 2019Review
- Spy vs. spy: selecting the best reporter forChemical communications (Cambridge, England) · 2019Article
Corrections and comments
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Authors and funding
2 authors.
Funding
Abstract
Nuclear magnetic resonance (NMR) spectroscopy is a pivotal method for structure-based and fragment-based lead discovery because it is one of the most robust techniques to provide information on protein structure, dynamics and interaction at an atomic level in solution. Nowadays, in most ligand screening cascades, NMR-based methods are applied to identify and structurally validate small molecule binding. These can be high-throughput and are often used synergistically with other biophysical assays. Here, we describe current state-of-the-art in the portfolio of available NMR-based experiments that are used to aid early-stage lead discovery. We then focus on multi-protein complexes as targets and how NMR spectroscopy allows studying of interactions within the high molecular weight assemblies that make up a vast fraction of the yet untargeted proteome. Finally, we give our perspective on how currently available methods could build an improved strategy for drug discovery against such challenging targets.
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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.