Attacking HIV, tuberculosis and histoplasmosis with XSEDE resources

Abstract

HIV, tuberculosis and histoplasmosis are infectious diseases that affect millions of people world-wide. We describe our efforts to find cures for these diseases using the technique of virtual screening to identify possible inhibitors for essential proteins in these organisms using one of the XSEDE supercomputers. We have completed the virtual screens and have found promising compounds for each disease. Cell culture experiments have supported the likelihood of a number of the compounds being effective for treating both histoplasmosis and tuberculosis.