Structure-guided drug discovery and development

Because three-dimensional protein structure can provide important information, structure-based drug discovery and development possibly leads a way for researchers to find a drug lead using rational approaches. Here, I will show some of research results that shows the process of SBDD, including development of antibiotics, anticancer agent, and anti-hypercholesterolemia, as well as consideration in choosing a method for drug lead discovery and evaluation of the drug leads. In addition, I will introduce a kind of ideal way to perform SBDD using XFEL (SFX program). By utilizing XFEL, we can get a protein structure at room temperature without radiation damage, leading us to get a better scaffold at the initial stage of drug discovery program.2