Preparation of a steroid-oxazole-1,2′-[1,3]oxazete] derivative: biological and theoretical evaluation of its interaction with a kinase protein (CK2)

The aim of this study was synthesizing a steroid-oxazole-oxazete derivative (4) to evaluate their biological activity in vitro. The first stage was achieved by the preparation of a steroid-oxazole-1,2'-[1,3]oxazete] derivative using a series of reactions such as; (1) addition; (2) nitration and (3) cyclization. Then, the biological activity of steroid analog against infarct area was evaluated on an ischemia/reperfusion model using quinalizarin as a control. In addition, the interaction of steroid derivative with kinase protein (CK2) was evaluated using a docking model. The results showed a decrease infarct area (0.001 nM] in a similar form that quinalizarin. In addition, the theoretical analysis suggests that steroid derivative could interact with some aminoacid residues (GIn(86), Lys(96), Leu(97), Leu(98)) of 3FL5 protein surface. All these data indicate that steroid derivative can decrease the infarct area via CK2 inhibition.