METHOD OF DETERMINING INHIBITOR, COVALENTLY BINDING TARGET POLYPEPTIDE Russian patent published in 2015 - IPC C12N15/09 C40B30/02 

FIELD: chemistry.

SUBSTANCE: invention relates to the field of biotechnology and can be used for the elaboration of an irreversible inhibitor, covalently binding a target polypeptide. The said method includes: a) presentation of a structural model of the reversible inhibitor or a model of a binding site in the target polypeptide, b) identification of a Cis-residue in the binding site of the target polypeptide, c) supply of the structural model of the supposed irreversible inhibitor, which potentially covalently binds with the target polypeptide, where the inhibitor contains "a warhead", or supply of the structural model of "the warhead" group, d) determination of whether the reactionable group of "the warhead" of the supposed inhibitor is within the distance of the formation of a bond with the Cis-residue in the binding site of the target polypeptide, or identification of a substitutable position of the reversible inhibitor, to which "the warhead" group, capable of forming a covalent bond with the Cis-residue in the binding site of the target polypeptide, can be bound, e) formation of the covalent bond between a sulphur atom of the Cis-residue in the binding site of the target polypeptide and the reactionable "warhead" group or binding "the warhead" group to the substitutable position of the reversible inhibitor.

EFFECT: invention makes it possible to reduce financial and time labour consumption in the elaboration of the structure of the irreversible inhibitor.

41 cl, 11 dwg, 12 tbl, 8 ex