Fragment-Based Ligand Discovery Using Protein-Observed [superscript 19]F NMR: A Second Semester Organic Chemistry CURE Project
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| Title: | Fragment-Based Ligand Discovery Using Protein-Observed [superscript 19]F NMR: A Second Semester Organic Chemistry CURE Project |
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| Language: | English |
| Authors: | Bur, Scott K. (ORCID |
| Source: | Journal of Chemical Education. Jun 2021 98(6):1963-1973. |
| Availability: | Division of Chemical Education, Inc. and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail: eic@jce.acs.org; Web site: http://pubs.acs.org/jchemeduc |
| Peer Reviewed: | Y |
| Page Count: | 11 |
| Publication Date: | 2021 |
| Document Type: | Journal Articles Reports - Descriptive |
| Education Level: | Higher Education Postsecondary Education |
| Descriptors: | Organic Chemistry, College Science, Undergraduate Students, Scientific Research, Science Laboratories, Molecular Structure, Inquiry, Active Learning, Science Experiments, Science Curriculum |
| DOI: | 10.1021/acs.jchemed.1c00028 |
| ISSN: | 0021-9584 |
| Abstract: | Curriculum-based undergraduate research experiences (CUREs) have been shown to increase student retention in STEM fields and are starting to become more widely adopted in chemistry curricula. Here we describe a 10-week CURE that is suitable for a second-semester organic chemistry laboratory course. Students synthesize small molecules and use protein-observed [superscript 19]F (PrOF) NMR to assess the small molecule's binding affinity to a target protein. The research project introduced students to multistep organic synthesis, structure-activity relationship studies, quantitative biophysical measurements (measuring K[subscript d] from PrOF NMR experiments), and scientific literacy. Docking experiments could be added to help students understand how changes in a ligand structure may affect binding to a protein. Assessment using the CURE survey indicates self-perceived skill gains from the course that exceed gains measured in a traditional and an inquiry-based laboratory experience. Given the speed of the binding experiment and the alignment of the synthetic methods with a second-semester organic chemistry laboratory course, a PrOF NMR fragment-based ligand discovery lab can be readily implemented in the undergraduate chemistry curriculum. |
| Abstractor: | As Provided |
| Entry Date: | 2021 |
| Accession Number: | EJ1300810 |
| Database: | ERIC |
| Abstract: | Curriculum-based undergraduate research experiences (CUREs) have been shown to increase student retention in STEM fields and are starting to become more widely adopted in chemistry curricula. Here we describe a 10-week CURE that is suitable for a second-semester organic chemistry laboratory course. Students synthesize small molecules and use protein-observed [superscript 19]F (PrOF) NMR to assess the small molecule's binding affinity to a target protein. The research project introduced students to multistep organic synthesis, structure-activity relationship studies, quantitative biophysical measurements (measuring K[subscript d] from PrOF NMR experiments), and scientific literacy. Docking experiments could be added to help students understand how changes in a ligand structure may affect binding to a protein. Assessment using the CURE survey indicates self-perceived skill gains from the course that exceed gains measured in a traditional and an inquiry-based laboratory experience. Given the speed of the binding experiment and the alignment of the synthetic methods with a second-semester organic chemistry laboratory course, a PrOF NMR fragment-based ligand discovery lab can be readily implemented in the undergraduate chemistry curriculum. |
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| ISSN: | 0021-9584 |
| DOI: | 10.1021/acs.jchemed.1c00028 |
