Targeting cardiac myosin: a structure-based approach to design conformation-selective modulators

This project aims to generate drug-like compounds able to selectively bind specific conformations of cardiac myosin.
This will be done by first using computational techniques such as Molecular Dynamics, Molecular Docking and virtual screening to identify a range of small molecules with different predicted effects on myosin function. The candidate compounds with best affinity and selectivity will be then tested on cardiac myosin and cardiomyocytes with in vitro motility assays.
Results of this research will directly impact the development of drugs to treat cardiovascular diseases such as heart failure and inherited cardiomyopathies.