Bridging the "valley of death" between academic target identification and drug discovery by rapid identification of lead therapeutic compounds.
Academic laboratories identify and validate therapeutic targets, but often lack the expertise and resources to discover drugs to modify target activity. Industry has the tools to discover new drugs, but are reluctant to invest in early stage drug development because of the high risk of failure. ORRxD seeks to bridge this gap between academics and industry by identifying small molecule lead compounds to specific targets.
STRATEGY
ORRxD's supercomputer-driven pipeline for in-silico drug discovery uses enhanced sampling molecular dynamics (MD) and ensemble docking. The dynamic properties of protein binding sites are considered in ORRxD's ensemble docking strategy that makes use of MD results to dock compound databases into representative protein binding-site configurations. The approach is rapid and cost effective.