Methodology of Validation of In Silico 3D-Models of Pharmacologically Relevant Proteins-Targets

Abstract

The article studies the development of methodology and results of validation of in silico 3D models of pharmacologically relevant target proteins on the example of protein kinase C theta. Using the IUPHAR / BPS database, information has been found about 5 reference inhibitors PRKCQ, recognized by the world scientific community. According to the received data, 3 most valid PRKCQ models (PDB-codes: 5F9E, 2JED, 4RA5) have been selected, which can later be used for docking of new inhibitors.