Therapeutic effect of Cu(II) coordination polymer on acute asthma and ligand optimization using machine learning algorithms

Abstract

Via using the mixed-ligand synthesis approach, a novel Cu(II)-bearing coordination polymer with the chemical composition of {[Cu3(phen)2(HL)2]·(H2O)2}n (1) (H4L = 3,3′,5,5′-azoxybenzenetetracarboxylic acid, phen = Phenanthroline) was successfully prepared by reaction of Cu(NO3)2·3H2O with the carboxylic acid and N-chelating ligands under solvothermal conditions. Its therapeutic effect and mechanism on acute asthma was explored and the related mechanism was explored at the same time. Firstly, the IFN-γ and IL-5 released by the bronchial endothelial cells was measured with ELISA assay. In addition to this, the activation levels of the NF-κB signaling pathway were also determined with real time RT-PCR assay. The optimized ligands through the deep learning method exhibit excellent biological effects, which shed light on the novel, artificial intelligence supported strategy for drug discovery.