Molecular Modeling and Dynamics: Development of a model for the glcosphingolipid GT1b

Authors

Dustin Danowski, Brigham Young University
David Busath, Brigham Young University

Keywords

molecular modeling, glcosphingolipid, GT1b

College

Life Sciences

Department

Physiology and Developmental Biology

Abstract

Botulinum Neurotoxin (BoNT) is currently being widely researched a a possible treatment for many medical conditions, as well as for cosmetic purposes. However, the mechanism describing how this family of toxins interact with their receptors to cause endocytosis is not well understood. We have developed a model of the GT1b ganglioside receptor of BoNT that may be used for Molecular Modeling and Dynamics simulations. The development of such a model is necessary to understand the mechanism of BoNT endocytosis, which then helps us determine possible uses and dangers of the toxin as a medical treatment. We had planned to complete the preliminary tests of our model before the writing of this report. However, due to lengthy delays (totaling approx. 6 months) in correcting software issues and malfunctions, the tests of the model are currently underway and have yet to be completed. However, a description of these tests and their expected outcomes is given below.

Recommended Citation

Danowski, Dustin and Busath, David (2013) "Molecular Modeling and Dynamics: Development of a model for the glcosphingolipid GT1b," Journal of Undergraduate Research: Vol. 2013: Iss. 1, Article 1459.
Available at: https://scholarsarchive.byu.edu/jur/vol2013/iss1/1459