Método para identificar compuestos inhibidores específicos de hemicanales de conexina y uso de dichos inhibidores para tratar y/o prevenir enfermedades inflamatorias, desórdenes vasculares, arritmia, heridas crónicas, neuroprotección de retina, fibrosis y dolor.

摘要

The invention relates to methods for identifying specific modulators of hemichannels formed by connexins, using structural bioinformatics methods for calculating the interaction energy with ligands and compositions for selectively modulating the activity of hemichannels formed by connexins. The invention describes, inter alia, a computer-assisted method that can be used to estimate the interaction energy between ligands belonging to a database of chemical compounds, with a binding pocket defined by the region comprising residues 3-10 (NTH), 29-40 (TM1), 74-93 (TM2) of a protomer and residues 29-40 (TM1) of an adjacent protomer in connexin 26 or equivalent residues in other connexins. In particular, the invention provides compounds that specifically inhibit the activation/opening of connexin hemichannels, identified with the aforementioned method, which can be used for the treatment of inflammatory diseases, vascular diseases, cardiac arrhythmias, chronic wounds, retinal neuroprotection, pain treatment, denervation of skeletal muscles, muscular dystrophies, spinal cord damage and genetic diseases characterised by an increase in the activity of hemichannels formed by connexins.