Modeling and Protein Chemistry Laboratory
The elucidation of the structure of proteins and modeling of them can be considered as inextricable parts of a considerable number of research projects conducted at the EMRI. The Modeling and Protein Chemistry Laboratory of the EMRI was founded to provide researchers from different backgrounds such as biochemistry, biology, genetics, biophysics, and other different branches of biology with the opportunity of having access to the cutting-edge technology they need to conduct their research. The main focus of the enzymology section of the laboratory is on inhibitory enzymes with a role in pathogenesis of different diseases. In this regard, study of enzyme structure, measurement of its concentrations, characteristics of their inhibitors, and the interaction between them are amongst different activities of this laboratory. As for enzyme inhibitors, the existing literature is reviewed, and then, using the obtained information, an improved and amended structure is designed for the enzyme inhibitor. The main objective of this process is to design enzymes which are more effective in lower concentrations. Currently, at the Modeling and Protein Chemistry Laboratory of EMRI, enzyme activity is determined by the means of spectrophotometery.
As regards modeling, the information obtained from experimental studies is analyzed, and then, the interaction between enzymes and inhibitors are theoretically determined and modeled. Molecular dynamic simulation, protein-based docking, and virtual screening are the methods currently utilized by the scientists of the EMRI.