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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
Language: English
Authors: Bur, Scott K. (ORCID 0000-0002-1914-515X), Pomerantz, William C. K. (ORCID 0000-0002-0163-4078), Bade, Morgan L., Gee, Clifford T.
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
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  Data: Fragment-Based Ligand Discovery Using Protein-Observed [superscript 19]F NMR: A Second Semester Organic Chemistry CURE Project
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  Data: <searchLink fieldCode="AR" term="%22Bur%2C+Scott+K%2E%22">Bur, Scott K.</searchLink> (ORCID <externalLink term="http://orcid.org/0000-0002-1914-515X">0000-0002-1914-515X</externalLink>)<br /><searchLink fieldCode="AR" term="%22Pomerantz%2C+William+C%2E+K%2E%22">Pomerantz, William C. K.</searchLink> (ORCID <externalLink term="http://orcid.org/0000-0002-0163-4078">0000-0002-0163-4078</externalLink>)<br /><searchLink fieldCode="AR" term="%22Bade%2C+Morgan+L%2E%22">Bade, Morgan L.</searchLink><br /><searchLink fieldCode="AR" term="%22Gee%2C+Clifford+T%2E%22">Gee, Clifford T.</searchLink>
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  Data: <searchLink fieldCode="SO" term="%22Journal+of+Chemical+Education%22"><i>Journal of Chemical Education</i></searchLink>. Jun 2021 98(6):1963-1973.
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  Data: 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
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  Data: 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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