To speed up the development of new biopharmaceuticals, computational approaches for the identification of lead compounds are widely used. In particular, virtual screening is becoming an integral part of modern drug development pipelines. Due to advances in computer technology resulting in constantly increasing computational power, virtual libraries comprising millions of compounds can be rapidly evaluated in silico prior to experimental screens and at a fraction of the cost. Here, the idea is to considerably reduce the number of candidate compounds that need to be tested experimentally. In this talk, I will discuss computational biology tools that are commonly used in modern drug discovery. As an example, I will walk through a computational study focusing on the development of novel antibiotics against acetyl-CoA carboxylase, which is part of a multi-disciplinary drug design project recently started at LSU. Finally, I will talk about how cutting-edge computer technology developed primarily for video game industry can be used to support scientific research as well, including the discovery of new drugs.
LSU Department of Biological Sciences