Organic Chemist Dr. Amy Deveau initiated a new virtual research collaboration this summer with Dr. George Shields, professor of chemistry at Furman University. The project focused on developing a compound database for a computational model to better understand antagonism at the mu opioid receptor (MOR). The MOR is involved in biochemical pathways of pain and addiction.
Dr. Deveau’s research student Noah Garrison, a senior biochemistry major, was funded by an award to Dr. Deveau from UNE’s Research Infrastructure Fund via the Office of Research and Scholarship. The monies enabled Noah to train with Schrodinger Corporation’s Maestro software which will be utilized for the computational aims of the project. Noah also received support from the Center of Excellence in Neuroscience.
Dr. Shields’ efforts were funded by NIH-INBRE, through the 2020 INBRE Faculty Fellows Summer Research program. The grant funded two Furman neuroscience students, rising juniors Lauren Jones and Brenna Outten, as well as providing funding for molecular modeling software.
The image was made by Noah Garrison using software by Schrodinger on which Noah received training this summer. The image shows molecular interactions of the morphine-like agonist BU72 (green) bound to the mu opioid receptor (X-ray structure 5C1M).
Visualizing agonist and antagonist interactions with the MOR is helping the Deveau research group better understand ways to improve binding efficacy of MOR agents.
This training was supported by the Office of Research and Scholarship RIF award to Dr. Deveau.