Multiplexed Screening of Thousands of Natural Products for Protein–Ligand Binding in Native Mass Spectrometry

Natural products in drug discovery: advances and opportunities

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New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays

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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

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Carbonic anhydrases: novel therapeutic applications for inhibitors and activators

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ZINC 15 – Ligand Discovery for Everyone

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The re-emergence of natural products for drug discovery in the genomics era

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SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information

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Interactome Networks and Human Disease

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STITCH 5: augmenting protein–chemical interaction networks with tissue and affinity data

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Multiple Binding Modes of Inhibitors to Carbonic Anhydrases: How to Design Specific Drugs Targeting 15 Different Isoforms?

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Bayesian Deconvolution of Mass and Ion Mobility Spectra: From Binary Interactions to Polydisperse Ensembles

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Opportunities and challenges in phenotypic drug discovery: an industry perspective

Moffat, J. G., Vincent, F., Lee, J. A., Eder, J., & Prunotto, M. (2017) · Nature Reviews Drug Discovery · doi:10.1038/nrd.2017.111 · Cited by 939 · see citing works

Determining the stoichiometry and interactions of macromolecular assemblies from mass spectrometry

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High-Resolution Native Mass Spectrometry

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Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L

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An integrated native mass spectrometry and top-down proteomics method that connects sequence to structure and function of macromolecular complexes

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High-resolution mass spectrometry of small molecules bound to membrane proteins

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Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I–XIV with a series of natural product polyphenols and phenolic acids

Innocenti, A., Sarıkaya, S. B. Ö., Gülçın, İ., & Supuran, C. T. (2010) · Bioorganic & Medicinal Chemistry · doi:10.1016/j.bmc.2010.01.076 · Cited by 219 · see citing works

Combining native and ‘omics’ mass spectrometry to identify endogenous ligands bound to membrane proteins

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Determining Membrane Protein–Lipid Binding Thermodynamics Using Native Mass Spectrometry

Cong, X., Liu, Y., Liu, W., Liang, X., Russell, D. H., & Laganowsky, A. D. (2016) · Journal of the American Chemical Society · doi:10.1021/jacs.6b01771 · Cited by 166 · see citing works

Protein–Small Molecule Interactions in Native Mass Spectrometry

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Carbonic Anhydrase Inhibitors: Inhibition of Human Erythrocyte Isozymes I and II with a Series of Phenolic Acids

Sarıkaya, S. B. Ö., Gülçın, İ., & Supuran, C. T. (2010) · Chemical Biology & Drug Design · doi:10.1111/j.1747-0285.2010.00965.x · Cited by 155 · see citing works

Boundaries of Mass Resolution in Native Mass Spectrometry

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Screening Derivatized Peptide Libraries for Tight Binding Inhibitors to Carbonic Anhydrase II by Electrospray Ionization-Mass Spectrometry

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Native Mass Spectrometry from Common Buffers with Salts That Mimic the Extracellular Environment

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Nanoscale Ion Emitters in Native Mass Spectrometry for Measuring Ligand–Protein Binding Affinities

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Carbonic anhydrase inhibitors:in vitroinhibition of α isoforms (hCA I, hCA II, bCA III, hCA IV) by flavonoids

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Structural Characterization of Dihydrofolate Reductase Complexes by Top-Down Ultraviolet Photodissociation Mass Spectrometry

Cammarata, M. B., Thyer, R. T., Rosenberg, J. A., Ellington, A. D., & Brodbelt, J. S. (2015) · Journal of the American Chemical Society · doi:10.1021/jacs.5b04628 · Cited by 81 · see citing works

FOLIAR NUTRITION, SITE QUALITY, AND TEMPERATURE INFLUENCE FOLIAR CHEMISTRY OF TALLOWWOOD (EUCALYPTUS MICROCORYS)

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Revealing Ligand Binding Sites and Quantifying Subunit Variants of Noncovalent Protein Complexes in a Single Native Top-Down FTICR MS Experiment

Li, H., Wongkongkathep, P., Orden, S. L. V., Loo, R. R. O., & Loo, J. A. (2014) · Journal of the American Society for Mass Spectrometry · doi:10.1007/s13361-014-0928-6 · Cited by 75 · see citing works

The Effects of Sodium Ions on Ligand Binding and Conformational States of G Protein-Coupled Receptors—Insights from Mass Spectrometry

Agasid, M. T., Sørensen, L., Urner, L. H., Yan, J., & Robinson, C. V. (2021) · Journal of the American Chemical Society · doi:10.1021/jacs.0c11837 · Cited by 69 · see citing works

Sizing Up Protein–Ligand Complexes: The Rise of Structural Mass Spectrometry Approaches in the Pharmaceutical Sciences

Eschweiler, J. D., Kerr, R., Rabuck-Gibbons, J. N., & Ruotolo, B. T. (2017) · Annual Review of Analytical Chemistry · doi:10.1146/annurev-anchem-061516-045414 · Cited by 64 · see citing works

Applications of a Catch and Release Electrospray Ionization Mass Spectrometry Assay for Carbohydrate Library Screening

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New natural product carbonic anhydrase inhibitors incorporating phenol moieties

Karioti, A., Ceruso, M., Carta, F., et al. (2015) · Bioorganic & Medicinal Chemistry · doi:10.1016/j.bmc.2015.10.018 · Cited by 54 · see citing works

Native metabolomics identifies the rivulariapeptolide family of protease inhibitors

Reher, R., Aron, A. T., Fajtová, P., Stincone, P., Wagner, B., Pérez-Lorente, A. I., Liu, C., Shalom, I. Y. B., Bittremieux, W., Wang, M., et al. (2022) · Nature Communications · doi:10.1038/s41467-022-32016-6 · Cited by 53 · see citing works

Studying biomolecular folding and binding using temperature-jump mass spectrometry

Marchand, A., Czar, M. F., Eggel, E. N., Kaeslin, J., & Zenobi, R. (2020) · Nature Communications · doi:10.1038/s41467-019-14179-x · Cited by 42 · see citing works

Perfluoroalkyl Substances of Significant Environmental Concern Can Strongly Inhibit Human Carbonic Anhydrase Isozymes

Nguyen, G. T. H., Nocentini, A., Angeli, A., Gratteri, P., Supuran, C. T., & Donald, W. A. (2020) · Analytical Chemistry · doi:10.1021/acs.analchem.0c00163 · Cited by 38 · see citing works

Mass Spectrometry-Based Shotgun Glycomics for Discovery of Natural Ligands of Glycan-Binding Proteins

Park, H., Jung, J., Rodrigues, E., Kitova, E. N., Macauley, M. S., & Klassen, J. S. (2020) · Analytical Chemistry · doi:10.1021/acs.analchem.0c02931 · Cited by 28 · see citing works

Identifying Carbohydrate Ligands of a Norovirus P Particle using a Catch and Release Electrospray Ionization Mass Spectrometry Assay

Han, L., Kitova, E. N., Tan, M., Jiang, X., & Klassen, J. S. (2013) · Journal of the American Society for Mass Spectrometry · doi:10.1007/s13361-013-0752-4 · Cited by 25 · see citing works

Bioaffinity Mass Spectrometry Screening

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Native metabolomics identifies the rivulariapeptolide family of protease inhibitors

Reher, R., Aron, A. T., Fajtová, P., Stincone, P., Wagner, B., Pérez-Lorente, A. I., Liu, C., Shalom, I. Y. B., Bittremieux, W., Wang, M., et al. (2022) · Nature Communications · doi:10.1038/s41467-022-32016-6 · Cited by 53 · see citing works

Bioactive Natural Product Discovery via Deuterium Adduct Bioactivity ScreeningPreprint

Zill, N. A., Du, Y., Marinkovich, S., et al. (2023) · bioRxiv (Cold Spring Harbor Laboratory) · doi:10.1101/2023.03.16.532988

Your natural product contains a promiscuous pains motif: Is it useful as a biochemical probe or in drug discovery?

Baell, J. B. (2015) · Planta Medica · doi:10.1055/s-0035-1556088

Unleashing the Potential of Microbial Natural Products in Drug Discovery: Focusing on Streptomyces as Antimicrobials Goldmine

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Bioactive Natural Product Discovery via Deuterium Adduct Bioactivity Screening

Zill, N. A., Du, Y., Marinkovich, S., Gu, D., Seidel, J. A., & Zhang, W. (2023) · ACS Chemical Biology · doi:10.1021/acschembio.3c00083 · Cited by 4 · see citing works

The role of natural product chemistry in drug discovery

Butler, M. S. (2004) · Journal of Natural Products · doi:10.1021/np040106y · Cited by 1,381 · see citing works