| 20100286429 | CRYSTALLOGRAPHIC MODEL OF THE BINDING SITE AND A MODULATOR REGULATING THE CATALYTIC ACTIVITY OF PHOSPHOFRUCTOKINASE (PFK), A METHOD OF DESIGNING, SELECTING AND PRODUCING THE PFK MODULATOR, A COMPUTER-BASED METHOD FOR THE ANALYSIS OF THE INTERACTIONS BETWEEN THE MODULATOR AND PFK - 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. | 11-11-2010 |
| 20110060574 | COMPUTER-BASED MODELING AND DESIGNING OF PHOSPHOFRUCTOKINASE 1 (PFK) MODULATORS - 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, a computer-based method the analysis of molecular structures, 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 ligands binding 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. The invention makes it possible to design a suitable activator, which could be used to modulate PFK activity, taking advantage of PFKs capability to bind in its effector site phosphate groups or other groups with a similar potential to interact, which correspond with the substituents in positions 1, 2 and 6 of the fructose ring, or groups corresponding with positions of the fructose ring groups interacting in the PFK effector site. | 03-10-2011 |
