Histopathological, Antioxidant, and Enzyme Activity of Boronic Incorporated Catechin Compound: Screening of Bioactivity with Molecular Docking Studies

Abstract: Objective: Boron structures play a crucial role in biological treatments due to their unique chemical properties. They are used in pharmaceuticals for their potential as enzyme inhibitors and as anti-inflammatory agents. Boron-containing compounds are also explored in drug delivery systems, leveraging their ability to cross cell membranes effectively. Additionally, boron-based materials are studied for their applications in biomaterials, such as wound healing and tissue engineering, highlighting their diverse applications in biological treatments. Methods: The study aims to elucidate the biological properties of catechin, a natural phenolic compound, by modifying it with phenylboronic acid. The Catechin-based boronic compound (CBC) was synthesized. The antioxidant and enzyme activity were studied. Histopathological experiments to vital organs and molecular docking studies were also conducted. Results and Discussion: The (CBC) showed meaningful antioxidant and enzyme activity when compared to standards. The effect of the (CBC) on tissues was demonstrated by in vivo experiments. Histopathological evaluation of vital organs in male Sprague Dawley rats was demonstrated by Hematoxylin–Eosin staining. The study has supported the antioxidant property of (CBC), also has a natural origin based on its structure. Besides, the antiurease and antityrosinase activities of catechin were tested for the first time. Furthermore, in silico approaches also supported the acceptable biological activity results that were experimentally examined. The interactions of AChE, BChE, urease, and tyrosinase enzymes with the (CBC) were investigated theoretically via molecular docking, and the binding parameter values were also shared. The (CBC) demonstrated radical scavenging activity. The in vivo experiments on rats were carried out and the (CBC) showed no negative effects on the vital organs. It was seen that the experimental results were in good agreement with the theoretical calculations. Conclusions: The analysis of the crystal structures of AChE, BChE, urease, and tyrosinase enzymes in relation to the compound (CBC) yielded striking results, highlighting the compound’s promising potential as a therapeutic agent. © Pleiades Publishing, Ltd. 2024.