FRI Virtual Drug Screening

Can new drugs be identified from virtual libraries of drug-like molecules?
Identifying new drug leads using traditional methods is an expensive and time consuming process. This research stream uses computers to sift through libraries of chemical structures and predict which ones may bind most effectively to a protein that is a potential drug target. Through this work students will be introduced to fundamental features of protein structures and of protein-ligand interactions. They will learn how to run Virtual Drug Screening software and will use molecular graphics programs to interpret the results. Then students will test several of the best candidate molecules in the wet lab to determine their efficacy in comparison to the computational screening predictions.

Category:

Education

Tags:

• FRI
• Virtual
• Drug
• Screening