Understanding Protein Dynamics in Enzyme Catalysis for Drug Discovery
Protein motions, from fast, local vibrations to large-scale conformational changes, are fundamental to enzyme catalysis. Each type of motion plays a unique role in facilitating chemical transformations. Our research focuses on understanding how these dynamic processes contribute to enzymatic activity and how they can be modulated for therapeutic benefit. By targeting and tuning these motions, we aim to develop novel inhibitors and activators for drug discovery. In particular, we are investigating domain–domain communication in multidomain enzymes as a strategy to uncover new avenues for treating cancer and other diseases.
Metalloenzymes in the Biosynthesis of Microbial Metabolites
Approximately one-third of all enzymes rely on metal ions to carry out their biological functions. Our research aims to uncover the fundamental molecular mechanisms by which the protein environment modulates the intrinsic reactivity of transition metals in metalloenzymes. These insights have the potential to inform the development of future diagnostic tools and therapeutic agents. Specifically, we focus on metal-dependent enzymes involved in peptide-modifying reactions, with the goal of discovering and engineering novel peptide-based antibiotics to combat drug-resistant bacteria.