Associate Professor William Pomerantz

CSENG Chemistry
College of Science & Engineering
Twin Cities
Project Title: 
Analysis and Development of Small Molecule Protein-Protein Interaction Inhibitors

These researchers are working with a 19F NMR dual screening method for detecting bromodomain-ligand interactions using fluorine-labeled aromatic amino acids on two different bromodomains. Over 200 small molecules were screened against the first bromodomain of Brd4 and the bromodomain of BPTF. Due to the absence of X-ray crystal data for the binding interactions, the Schrodinger software suite was utilized to propose probable binding poses of new small molecule binders using QM/MM hybrid techniques with Glide. These new binding classes were also analyzed to determine common pharmacophore hypotheses by Phase, in order to later develop more potent and selective inhibitors for use in drug development. The researchers are now computationally screening large libraries of drug-like compounds against various proteins to develop selective inhibitors. Additionally, they are using ab initio methods to predict chemical shifts of fluorine atoms incorporated into proteins.

Project Investigators

Caroline Buchholz
Dr. Scott Bur
Huarui Cui
Anand Divakaran
Jorden Johnson
Prakriti Kalra
Steven Kirberger
Amani Lee
Jiaqian Li
Post/Doctoral Associate Neeraj Mishra
Anil Pandey
Associate Professor William Pomerantz
Peter Ycas
Huda Zahid
 
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