Yanalieva L.R., Vasilyev P.M., Kochetkov A.N. Methodology of Validation of In Silico 3D-Models of Pharmacologically Relevant Proteins-Targets
DOI: https://doi.org/10.15688/jvolsu11.2018.1.16
Laura R. Yanalieva
Assistant, Department of Pharmacology and Bioinformatics, Volgograd State
Medical University Pavshikh bortsov Sq., 1, 400131 Volgograd, Russian Federation
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Pavel M. Vasilyev
Doctor of Sciences (Biology), Professor, Department of Pharmacology and Bioinformatics, Senior Researcher of Research Institute of Pharmacology, Volgograd State Medical University
Pavshikh bortsov Sq., 1, 400131 Volgograd, Russian Federation
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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.
Key words: 3D models of target proteins, biosensors, reference inhibitors, docking, validation, protein kinase.
Methodology of Validation of In Silico 3D-Models of Pharmacologically Relevant Proteins-Targets by Yanalieva L.R., Vasilyev P.M., Kochetkov A.N. is licensed under a Creative Commons Attribution 4.0 International License.
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