Nuclear Magnetic Resonance Facility

Data visualizations from the Nuclear Magnetic Resonance Facility

Nuclear magnetic resonance (NMR) spectroscopy is a solution-based technique used to probe the structure and dynamics of molecules, ranging from small molecules to proteins. The NMR facility at MUSC comprises three NMR spectrometers with field strengths of 400 and 600. The 400 MHz spectrometer is used mainly for small molecule analysis and has two broadband probes. The 600 MHz spectrometer is primarily used for biomolecular research, including solving high-resolution structures of macromolecules, measuring drug/protein interactions and metabolomics. The facility is housed within a custom-built laboratory on the first floor of the Drug Discovery Building.

The NMR facility can be accessed in two ways:

  1. Trained users can access the spectrometers on an hourly-fee basis.
  2. For those without NMR expertise, experiments can be performed by the Facility Manager, in which case additional fees will apply to cover time spent.

For extended projects, a percentage effort coverage of the Facility Manager can be negotiated.

Carruthers, N. J., Stemmer, P. M., Media, J., Swartz, K., Wang, X., Aube, N., Hamann, M. T., Valeriote, F., & Shaw, J. (2020). The anti-MRSA compound 3-O-alpha-L-(2″,3″-di-p-coumaroyl)rhamnoside (KCR) inhibits protein synthesis in Staphylococcus aureus. Journal of proteomics, 210, 103539. https://doi.org/10.1016/j.jprot.2019.103539

Chen, X., Ding, Y., Forrest, B., Oh, J., Boussert, S. M., & Hamann, M. T. (2019). Lemon yellow #15 a new highly stable, water soluble food colorant from the peel of Citrus limon. Food chemistry, 270, 251–256. https://doi.org/10.1016/j.foodchem.2018.07.055

Liu, J., Pandey, P., Wang, X., Adams, K., Qi, X., Chen, J., Sun, H., Hou, Q., Ferreira, D., Doerksen, R. J., Hamann, M. T., & Li, S. (2019). Hepatoprotective Tetrahydrobenzocyclooctabenzofuranone Lignans from Kadsura longipedunculata. Journal of natural products, 82(10), 2842–2851. https://doi.org/10.1021/acs.jnatprod.9b00576

Wang, X., & Hamann, M. T. (2019). Marine natural products in the discovery and development of potential pancreatic cancer therapeutics. Advances in cancer research, 144, 299–314. https://doi.org/10.1016/bs.acr.2019.05.003

Zou, Y., Wang, X., Sims, J., Wang, B., Pandey, P., Welsh, C. L., Stone, R. P., Avery, M. A., Doerksen, R. J., Ferreira, D., Anklin, C., Valeriote, F. A., Kelly, M., & Hamann, M. T. (2019). Computationally Assisted Discovery and Assignment of a Highly Strained and PANC-1 Selective Alkaloid from Alaska's Deep Ocean. Journal of the American Chemical Society, 141(10), 4338–4344. https://doi.org/10.1021/jacs.8b11403

Holshouser, S., Dunworth, M., Murray-Stewart, T., Peterson, Y. K., Burger, P., Kirkpatrick, J., Chen, H. H., Casero, R. A., Jr, & Woster, P. M. (2019). Dual inhibitors of LSD1 and spermine oxidase. MedChemComm, 10(5), 778–790. https://doi.org/10.1039/c8md00610e

El Bissati, K., Redel, H., Ting, L. M., Lykins, J. D., McPhillie, M. J., Upadhya, R., Woster, P. M., Yarlett, N., Kim, K., & Weiss, L. M. (2019). Novel Synthetic Polyamines Have Potent Antimalarial Activities in vitro and in vivo by Decreasing Intracellular Spermidine and Spermine Concentrations. Frontiers in cellular and infection microbiology, 9, 9. https://doi.org/10.3389/fcimb.2019.00009

Holshouser, S., Dunworth, M., Murray-Stewart, T., Peterson, Y. K., Burger, P., Kirkpatrick, J., Chen, H. H., Casero, R. A., Jr, & Woster, P. M. (2019). Dual inhibitors of LSD1 and spermine oxidase. MedChemComm, 10(5), 778–790. https://doi.org/10.1039/c8md00610e

Kumarasinghe, I.; Casero, Jr., R.A.; Woster, P.M.: D-Amino acid-substituted cyclic peptides with enhanced activity against lysine-specific demethylase 1. Bioorg. Med. Chem. 2019, submitted.

De Palma, R. M., Parnham, S. R., Li, Y., Oaks, J. J., Peterson, Y. K., Szulc, Z. M., Roth, B. M., Xing, Y., & Ogretmen, B. (2019). The NMR-based characterization of the FTY720-SET complex reveals an alternative mechanism for the attenuation of the inhibitory SET-PP2A interaction. FASEB journal : official publication of the Federation of American Societies for Experimental Biology, 33(6), 7647–7666. https://doi.org/10.1096/fj.201802264R

Zou, Y., Wang, X., Sims, J., Wang, B., Pandey, P., Welsh, C. L., Stone, R. P., Avery, M. A., Doerksen, R. J., Ferreira, D., Anklin, C., Valeriote, F. A., Kelly, M., & Hamann, M. T. (2019). Computationally Assisted Discovery and Assignment of a Highly Strained and PANC-1 Selective Alkaloid from Alaska's Deep Ocean. Journal of the American Chemical Society, 141(10), 4338–4344. https://doi.org/10.1021/jacs.8b11403

Young, B. F., Roth, B. M., & Davies, C. (2019). 1H, 13C, and 15N resonance assignments of N-acetylmuramyl-L-alanine amidase (AmiC) N-terminal domain (NTD) from Neisseria gonorrhoeae. Biomolecular NMR assignments, 13(1), 63–66. https://doi.org/10.1007/s12104-018-9852-1

Kumarasinghe, I. R., & Woster, P. M. (2018). Cyclic peptide inhibitors of lysine-specific demethylase 1 with improved potency identified by alanine scanning mutagenesis. European journal of medicinal chemistry, 148, 210–220. https://doi.org/10.1016/j.ejmech.2018.01.098

Kirkpatrick, J. E., Kirkwood, K. L., & Woster, P. M. (2018). Inhibition of the histone demethylase KDM4B leads to activation of KDM1A, attenuates bacterial-induced pro-inflammatory cytokine release, and reduces osteoclastogenesis. Epigenetics, 13(5), 557–572. https://doi.org/10.1080/15592294.2018.1481703

Wang, X., Liu, J., Pandey, P., Fronczek, F. R., Doerksen, R. J., Chen, J., Qi, X., Zhang, P., Ferreira, D., Valeriote, F. A., Sun, H., Li, S., & Hamann, M. T. (2018). Computationally Assisted Assignment of the Kadsuraols, a Class of Chemopreventive Agents for the Control of Liver Cancer. Organic letters, 20(18), 5559–5563. https://doi.org/10.1021/acs.orglett.8b02207

Park, H. B., Tuan, N. Q., Oh, J., Son, Y., Hamann, M. T., Stone, R., Kelly, M., Oh, S., & Na, M. (2018). Sesterterpenoid and Steroid Metabolites from a Deep-Water Alaska Sponge Inhibit Wnt/β-Catenin Signaling in Colon Cancer Cells. Marine drugs, 16(9), 297. https://doi.org/10.3390/md16090297

Simithy, J., Fuanta, N. R., Alturki, M., Hobrath, J. V., Wahba, A. E., Pina, I., Rath, J., Hamann, M. T., DeRuiter, J., Goodwin, D. C., & Calderón, A. I. (2018). Slow-Binding Inhibition of Mycobacterium tuberculosis Shikimate Kinase by Manzamine Alkaloids. Biochemistry, 57(32), 4923–4933. https://doi.org/10.1021/acs.biochem.8b00231

Liu, D. S., Rong, X. G., Kang, H. H., Ma, L. Y., Hamann, M. T., & Liu, W. Z. (2018). Raistrickiones A-E from a Highly Productive Strain of Penicillium raistrickii Generated through Thermo Change. Marine drugs, 16(6), 213. https://doi.org/10.3390/md16060213

Chen, X. Y., Zhang, T., Wang, X., Hamann, M. T., Kang, J., Yu, D. Q., & Chen, R. Y. (2018). A Chemical Investigation of the Leaves of Morus alba L. Molecules (Basel, Switzerland), 23(5), 1018. https://doi.org/10.3390/molecules23051018

Simithy, J., Fuanta, N. R., Hobrath, J. V., Kochanowska-Karamyan, A., Hamann, M. T., Goodwin, D. C., & Calderón, A. I. (2018). Mechanism of irreversible inhibition of Mycobacterium tuberculosis shikimate kinase by ilimaquinone. Biochimica et biophysica acta. Proteins and proteomics, 1866(5-6), 731–739. https://doi.org/10.1016/j.bbapap.2018.04.007

Liu, J., Pandey, P., Wang, X., Qi, X., Chen, J., Sun, H., Zhang, P., Ding, Y., Ferreira, D., Doerksen, R. J., Hamann, M. T., & Li, S. (2018). Hepatoprotective Dibenzocyclooctadiene and Tetrahydrobenzocyclooctabenzofuranone Lignans from Kadsura longipedunculata. Journal of natural products, 81(4), 846–857. https://doi.org/10.1021/acs.jnatprod.7b00934

Wang, X., Liu, J., Pandey, P., Chen, J., Fronczek, F. R., Parnham, S., Qi, X., Doerksen, R. J., Ferreira, D., Sun, H., Li, S., & Hamann, M. T. (2017). Assignment of the absolute configuration of hepatoprotective highly oxygenated triterpenoids using X-ray, ECD, NMR J-based configurational analysis and HSQC overlay experiments. Biochimica et biophysica acta. General subjects, 1861(12), 3089–3095. https://doi.org/10.1016/j.bbagen.2017.09.001

Ibrahim, M. A., El-Alfy, A. T., Ezel, K., Radwan, M. O., Shilabin, A. G., Kochanowska-Karamyan, A. J., Abd-Alla, H. I., Otsuka, M., & Hamann, M. T. (2017). Marine Inspired 2-(5-Halo-1H-indol-3-yl)-N,N-dimethylethanamines as Modulators of Serotonin Receptors: An Example Illustrating the Power of Bromine as Part of the Uniquely Marine Chemical Space. Marine drugs, 15(8), 248. https://doi.org/10.3390/md15080248