Crystal structure, molecular docking, and treatment activity on myocarditis of a co‐Schiff‐base coordination polymer

This work presents the synthesis and characterization of a dicyanamide-bridged coordination polymer {[Co2(L)2(dca)2](H2O)}n (named complex 1 hereafter) by using the N,O-donor Schiff base ligand 2-(((E)-2-(((E)-2-hydroxybenzylidene)amino)benzylidene)amino)phenol (H2L). Furthermore, the nanoparticles of complex 1 (denoted as nano 1 hereafter) were prepared using a green grinding approach, which has good water dispersibility. First, the coxsackievirus B3 (CVB3) infection mice model was constructed successfully, and then, the nano 1 was used for treatment. Reverse transcription-polymerase chain reaction (RT-PCR) was performed to detect the CVB3 virus loading after nano 1 treatment. Besides, the left ventricular fractional shortening and the left ventricular ejection fraction were measured to evaluate the protective effect of nano 1 on cardiac functions. The hypothesis originating from the experimental observations has been further confirmed by using a molecular docking simulation.