Method and System for the Characterization of Dynamic Interactions between Drugs and IKR or HERG Channels

Abstract: the invention relates to a method for the characterization of dynamic interactions between drugs and ior herg channels, comprising the steps of: modelling the interaction of drugs with ior herg; selecting the drugs by means of a simulation of compounds distributed in groups with different kinetics and affinities for the conformational states of the ior herg channel; and defining a plurality of voltage clamp protocols, obtaining their concentration-response distributions. the method further comprises obtaining values of drug concentration at which the half blocking of a corresponding ionic current (ic) takes place and of the corresponding time constants (�) for each voltage clamp protocol and for the simulated compounds; and characterizing the compounds according to the values obtained.

Inventor(s): Lucia Romero, Fernando Escobar Ropero, Julio Gomis-Tena Dolz, Francisco Javier Saiz Rodrigues

CPC Classification: G16C20/50 (Molecular design, e.g. of drugs)

Search for rejections for patent application number 20250232846