The Lyu lab is working to overcome mycobacterial drug resistance by using large-scale compound virtual screening to identify drug candidates that can inhibit the function of mycobacterial ATP synthase. The drug BDQ, which targets ATP synthase, can be used to treat tuberculosis, however it has significant side effects and mycobacteria can become resistant to it, necessitating the development of new drugs that treat tuberculosis and other mycobacterial infections.
Having a better understanding of the molecular recognitions between small molecule ligands and their biological targets is crucial for designing and developing new drugs and therapies. The Lyu lab approaches this by studying these recognition patterns and using them to develop computer programs for screening vast chemical libraries. The goal is to discover novel ligands that illuminate biological processes and help assess emerging therapeutic targets.
