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Photo of Charlotte Simmler

Charlotte Simmler

Visiting Research Assistant Professor, Medicinal Chemistry and Pharmacognosy

Visiting Research Assistant Professor, Program for Collaborative Research in the Pharmaceutical Sciences

Contact Information

833 S. Wood Street (781)
rm 316
Chicago, IL 60612


  • PhD, Pharmacognosy, Strasbourg University, Strasbourg, France, 2010
  • Pharmacist degree (France), Strasbourg University, Strasbourg, France, 2006

Research Interests

Characterization and authentication of Natural Products, Metabolomics, Chemical ecology, preservation of Biodiversity, Drug Discovery in Infectious and Neglected Diseases.

Teaching Interests

Techniques used in Pharmacognosy and Ethno-botany, drug discovery, Infectious Diseases

Clinical Experience

Tropical and Infectious Diseases: 6 months Hospital Training at Strasbourg University Hospital Center.

Awards and Honors

  • 2012, ASP Travel Award, American Society of Pharmacognosy
  • 2011, ODS Practicum Travel Award, Office of Dietary Supplements (ODS), NIH
  • 2010, Student Poster Award, American Society of Pharmacognosy
  • 2010, FRC’s Prize for Scientific Communications , Strasbourg University
  • 2005, Boussole Award , Region Alsace, France

Intellectual Contributions

Journal Article

  • Simmler C, Lankin DC, Nikolic DS, van Breemen RB, Pauli GF. "Isolation and structural characterization of dihydrobenzofuran congeners of licochalcone A.". Fitoterapia. 2017;. doi:10.1016/j.fitote.2017.06.017.
  • Phansalkar RS, Simmler C, Bisson J, Chen S, Lankin DC, McAlpine JB, Niemitz M, Pauli GF. "Evolution of Quantitative Measures in NMR: Quantum Mechanical qHNMR Advances Chemical Standardization of a Red Clover (Trifolium pratense) Extract.". Journal of natural products. 2017;80(3):634-647. doi:10.1021/acs.jnatprod.6b00923.
  • Bisson J, Simmler C, Chen S, Friesen JB, Lankin DC, McAlpine JB, Pauli GF. "Dissemination of original NMR data enhances reproducibility and integrity in chemical research.". Natural product reports. 2016;33(9):1028-33. doi:10.1039/c6np00022c.
  • Simmler C, Kulakowski D, Lankin DC, Mcalpine JB, Chen S, Pauli GF. "Holistic Analysis Enhances the Description of Metabolic Complexity in Dietary Natural Products". Advances in Nutrition. 2016;7:179-189. doi:10.3945/​an.115.009928.
  • Hajirahimkhan A, Simmler C, Dong H, Lantvit DD, Li G, Chen S, Nikolic DS, Pauli GF, van Breemen RB, Dietz BM, Bolton JL. "Induction of NAD(P)H:Quinone Oxidoreductase 1 (NQO1) by Glycyrrhiza Species Used for Women's Health: Differential Effects of the Michael Acceptors Isoliquiritigenin and Licochalcone A.". Chemical research in toxicology. 2015;28(11):2130-41. doi:10.1021/acs.chemrestox.5b00310.
  • Simmler C, Anderson JR, Gauthier LL, Lankin DC, McAlpine JB, Chen S, Pauli GF. "Metabolite Profiling and Classification of DNA-Authenticated Licorice Botanicals.". Journal of natural products. 2015;78(8):2007-22. doi:10.1021/acs.jnatprod.5b00342.
  • Dunlap TL, Wang S, Simmler C, Chen S, Pauli GF, Dietz BM, Bolton JL. "Differential Effects of Glycyrrhiza Species on Genotoxic Estrogen Metabolism: Licochalcone A Downregulates P450 1B1, whereas Isoliquiritigenin Stimulates It.". Chemical research in toxicology. 2015;28(8):1584-94. doi:10.1021/acs.chemrestox.5b00157.
  • Napolitano JG, Simmler C, McAlpine JB, Lankin DC, Chen S, Pauli GF. "Digital NMR profiles as building blocks: assembling ¹H fingerprints of steviol glycosides.". Journal of natural products. 2015;78(4):658-65. doi:10.1021/np5008203.
  • Ramos Alvarenga RF, Friesen JB, Nikolic DS, Simmler C, Napolitano JG, van Breemen RB, Lankin DC, McAlpine JB, Pauli GF, Chen S. "K-targeted metabolomic analysis extends chemical subtraction to DESIGNER extracts: selective depletion of extracts of hops (Humulus lupulus).". Journal of natural products. 2014;77(12):2595-604. doi:10.1021/np500376g.
  • Pauli GF, Chen S, Simmler C, Lankin DC, Gödecke T, Jaki BU, Friesen JB, McAlpine JB, Napolitano JG. "Importance of purity evaluation and the potential of quantitative ¹H NMR as a purity assay.". Journal of medicinal chemistry. 2014;57(22):9220-31. doi:10.1021/jm500734a.
  • Simmler C, Nikolic DS, Lankin DC, Yu Y, Friesen JB, van Breemen RB, Lecomte A, Le Quémener C, Audo G, Pauli GF. "Orthogonal Analysis Underscores the Relevance of Primary and Secondary Metabolites in Licorice.". Journal of natural products. 2014;77(8):1806-16. doi:10.1021/np5001945.
  • Simmler C, Jones T, Anderson JR, Nikolić DC, van Breemen RB, Soejarto DD, Chen S, Pauli GF. "Species-specific Standardisation of Licorice by Metabolomic Profiling of Flavanones and Chalcones.". Phytochemical analysis : PCA. 2014;25(4):378-88.
  • Elkington BG, Sydara K, Newsome A, Hwang CH, Lankin DC, Simmler C, Napolitano JG, Ree R, Graham JG, Gyllenhaal C, Bouamanivong S, Souliya O, Pauli GF, Franzblau SG, Soejarto DD. "New finding of an anti-TB compound in the genus Marsypopetalum (Annonaceae) from a traditional herbal remedy of Laos.". Journal of ethnopharmacology. 2014;151(2):903-11. doi:10.1016/j.jep.2013.11.057.
  • Simmler C, Napolitano JG, McAlpine JB, Chen S, Pauli GF. "Universal quantitative NMR analysis of complex natural samples.". Current opinion in biotechnology. 2014;25:51-9. doi:10.1016/j.copbio.2013.08.004.
  • Simmler C, Fronczek FR, Pauli GF, Santarsiero BD. "Absolute configuration of naturally occurring glabridin.". Acta crystallographica. Section C, Crystal structure communications. 2013;69(Pt 11):1212-6. doi:10.1107/S0108270113018842.
  • Simmler C, Pauli GF, Chen S. "Phytochemistry and biological properties of glabridin.". Fitoterapia. 2013;90:160-84. doi:10.1016/j.fitote.2013.07.003.
  • Hajirahimkhan A, Simmler C, Yuan Y, Anderson JR, Chen S, Nikolić D, Dietz BM, Pauli GF, van Breemen RB, Bolton JL. "Evaluation of estrogenic activity of licorice species in comparison with hops used in botanicals for menopausal symptoms.". PloS one. 2013;8(7):e67947. doi:10.1371/journal.pone.0067947.
  • Simmler C, Hajirahimkhan A, Lankin DC, Bolton JL, Jones T, Soejarto DD, Chen S, Pauli GF. "Dynamic residual complexity of the isoliquiritigenin-liquiritigenin interconversion during bioassay.". Journal of agricultural and food chemistry. 2013;61(9):2146-57. doi:10.1021/jf304445p.
  • Dong SH, Nikolić D, Simmler C, Qiu F, van Breemen RB, Soejarto DD, Pauli GF, Chen S. "Diarylheptanoids from Dioscorea villosa (Wild Yam).". Journal of natural products. 2012;75(12):2168-77. doi:10.1021/np300603z.
  • Simmler C, Antheaume C, André P, Bonté F, Lobstein A. "Glucosyloxybenzyl eucomate derivatives from Vanda teres stimulate HaCaT cytochrome c oxidase.". Journal of natural products. 2011;74(5):949-55. doi:10.1021/np1006636.
  • Simmler C, Antheaume C, Lobstein A. "Antioxidant biomarkers from Vanda coerulea stems reduce irradiated HaCaT PGE-2 production as a result of COX-2 inhibition.". PloS one. 2010;5(10):e13713. doi:10.1371/journal.pone.0013713.