Crystal-graphical model of binding point and modulator adjusting catalythic activity of phosphofructokinase (PFK), manner of designing, selection and production of PFK modulator, the manner of computer analysis of influences between molecular structure of

摘要

The subject matters of the invention are: a crystallographic model of the binding site and a modulator regulating the catalytic activity of phosphofructokinase (PFK), a method of designing, selecting and producing a PFK modulator, a computer-based method for the analysis of the interaction between the modulator and PFK and for the analysis of molecular structures, a computer-based method of drug design, a method of assessing the ability of the potential modulator to interact in the binding site on the PFK surface, a method of providing data for generating structures and/or performing design for drugs that bind PFK, PFK homologues or analogues, complexes of PFK with a potential modulator, or complexes of PFK homologues or analogues with potential modulators, a computer system.