Şeker hastalığı üzerinde quercetin, gallik asit, oleanolik asit ve ursolik asitin in siliko analizi

Abstract

Objective: Diabetes is a disease that occurs due to pancreatic β cells failing to produce enough insulin or the inability to use the produced insulin effectively in the body. According to the data of the IDF diabetes atlas, it has been reported that there are 537 million diabetic patients aged 20-79 worldwide in 2021 and this number is expected to reach 643 million in 2030 and 783 million in 2045. To control diabetes at such a severe level, scientists are trying to find various treatment methods. One of them is natural treatments. In this study, the affinity values of quercetin, gallic acid, oleanolic acid and ursolic acid, which have antidiabetic properties, to diabetes-related renin, cathepsin-d, T-PA, leptin, MASP-2, FABP4 proteins were investigated. Methods: For molecular docking analysis, unwanted residues and chains were deleted from the proteins with UCSF Chimera 1.15 software and prepared for docking by adding polar hydrogen atoms. Next, quercetin, gallic acid, oleanolic acid and ursolic acid used as ligands were brought to minimum energy conformation. Protein and ligands prepared for molecular docking were analyzed with Autodock Tools 1.5.6 software. Molecular docking results were viewed with BIOVIA Discovery Studio and protein plus software. Moreover, pkCSM software was used for ADME analysis. Conclusion: As a result, quercetin was found to be more effective than the other three flavonoids.