Overview
The primary goal of our research is the discovery of novel bioactive compounds for medicinal and practical applications. We characterize the molecular interactions that small molecules undergo with their protein receptors in order to elucidate biological processes and to design novel drugs. We are mostly interested in enzyme inhibitors that are of potential therapeutic value. In our research, we employ computational techniques capable of analyzing and predicting bioactivities as well as traditional bioassays that measure the potencies of compounds. We obtain our test compounds either commercially by virtual screens of large libraries or via organic synthesis performed by our collaborators . Some examples of past and current projects are activity modulators of P-type ATPases (sarco/endoplasmic reticulum calcium ATPase, sodium/potassium ATPase, PfATP6), the Arylhydrocarbon Receptor, and dynamin.
In addition, we are engaged in a project that is aimed at obtaining information on the origin of life. The goal is to mimic rather primitive living systems as they may have existed on early earth, using liposomes as models for primordial cells. We are currently testing the ability of structurally simple inorganic compounds to facilitate electron transfer reactions, which in turn facilitate the transport of protons across the liposomal lipid bilayers. This process is vital for the generation of energy in all modern organisms on earth today and must have evolved from much simpler systems. |
