Experimental and Computational Investigation of the Interaction of Various Derivatives from Imidazoacridine Heterocyclic System with Urease Enzyme

In this research work, various derivatives of the heterocyclic system, imidazo [4,5-a] acridines, which have a suitable history of biological activities, were prepared using the reaction of alkylated benzoimidazole compounds with different aryl acetonitrile in high yields. After purifying and proving their structure, their interaction with urease enzyme was investigated experimentally. The experimental results of their IC50 investigation show that these compounds have a very good inhibitory ability against urease enzyme compared to the thiourea standard. Also, in order to more closely examine the interaction sites in the desired ligands and urease enzyme, simulation and molecular docking methods were used. Studies show that the chlorine derivative has the most interaction with urease. The examination and comparison of experimental and calculation results shows that these studies are very suitable and close to each other.