METHODS OF IDENTIFYING MACROMOLECULE BINDING AND AGGREGATION-PRONE REGIONS IN PROTEINS AND USE THEREOF Russian patent published in 2015 - IPC G06F19/16 G01N33/48 A61K39/395 A61K45/00 C12N15/09 

FIELD: chemistry; pharmaceutics.

SUBSTANCE: invention relates to bioinformatics. Disclosed is a method of determining, on a protein, a hydrophobic region which is an aggregation-prone region and/or a macromolecule binding region, which includes a structural model of a protein and determining spatial aggregation propensity (SAP) based on the ratio of the solvent accessible area (SAA) to the corresponding SAA of atoms in a fully exposed residue and hydrophobicity of an atom or amino acid residue. Based on the method of determining region hydrophobicity, the invention provides methods of obtaining a protein variant which exhibits reduced propensity for aggregation, or reduced or altered macromolecule binding affinity, as well as methods of producing a composition containing the protein variant, which exhibits reduced propensity for aggregation or altered propensity for interaction with a binding partner.

EFFECT: invention enables to obtain a protein with high stability, reduced propensity for aggregation and/or altered affinity for other molecules, which can be used in producing different therapeutic agents.

16 cl, 1 tbl, 7 ex