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:
- Trained users can access the spectrometers on an hourly-fee basis.
- 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