Instructions

Student presentations must have a faculty sponsor.

Abstracts must include a title and a description of the research, scholarship, or creative work. The description should be 150-225 words in length and constructed in a format or style appropriate for the presenter’s discipline.

The following points should be addressed within the selected format or style for the abstract:

A clear statement of the problem or question you pursued, or the scholarly goal or creative theme achieved in your work.
A brief comment about the significance or uniqueness of the work.
A clear description of the methods used to achieve the purpose or goals for the work.
A statement of the conclusions, results, outcomes, or recommendations, or if the work is still in progress, the results you expect to report at the event.

Presenter photographs should be head and shoulder shots comparable to passport photos.

Additional Information

More information is available at carthage.edu/celebration-scholars/. The following are members of the Research, Scholarship, and Creativity Committee who are eager to listen to ideas and answer questions:

Jun Wang
Kim Instenes
John Kirk
Nora Nickels
Andrew Pustina
James Ripley

Molecular Dynamics Simulation Study of the Binding of Chlorthalidone Enantiomers to a Chiral Molecular Micelle

Name: Jordan Ingle
Major: Chemistry
Hometown: Shelbyville
Faculty Sponsor: Kevin Morris
Other Sponsors:
Type of research: SURE
Funding: SURE

Abstract

The mirror image forms of drugs or enantiomers often bind differently to chiral biological receptors causing them to have different physiological effects. The molecular micelle used in this research, poly(sodium undecylleucine valinate) poly(SULV) has been used by researchers to separate the enantiomers of chiral drugs. In this project we studied the intermolecular interactions between the chiral drug chlorthalidone and poly(SULV). Chlorthalidone is a thiazide drug used to treat fluid retention in patients with hypertension. It is taken by mouth in either 25 or 50 mg doses. The enantiomers of chlorthiadone were docked into one of six different binding sites of poly(SULV). Molecular dynamics simulations were then carried out with each intermolecular complex. For each molecular dynamics simulation, the ligands’ solvent accessible surface areas and binding free energies were analyzed, along with the hydrogen bonds formed between poly(SULV) and the ligand. These results were used to develop a mechanism for the binding of chlorothiadone enantiomers to the molecular micelle.

Poster file

Celebration of Scholars

Instructions

Additional Information

Abstract