A Systematic Study of Pyracantha crenulata Phytoconstituents for their Anti-Diabetic Activity Using Computational Techniques

Background: Diabetes mellitus is a significant medical condition with rising incidence and fatality rates. According to WHO, around 422 million individuals globally have diabetes, the majority of whom live in low and middle-income economies. Diabetes is entirely responsible for 1.5 million fatalities yearly. Researchers are concentrating on plant derivatives due to the higher toxicity of conventional allopathic medicines. Antidiabetic agents and other medications, including from plants, are significant. Pyracantha crenulata is a significant plant recognized for its various therapeutic applications. It contains many phytoconstituents that give antidiabetic efficiency. In order to investigate the antidiabetic efficacy of Pyracantha crenulata phytoconstituents, a study was conducted using PDB IDs IUOK. The research was focused on the analysis of molecular docking and ADME and toxicity studies. Objective: This study aimed to propose a mechanism for the antidiabetic activity of Pyracantha crenulata phytoconstituents based on molecular docking studies. Methods: The phytoconstituents of Pyracantha crenulata were docked using the PyRx Virtual Screening software, and the ADME study was evaluated. Results: The results of molecular docking showed that many phytocosntituents of Pyracantha crenulata have higher dock scores against antidiabetic action than conventional drugs. Conclusion: Based on molecular docking study, different chemical constituents may act as potent inhibitors of diabetic proteins IUOK. By using the outcome of the research, new anti-diabetic medications could be designed.