Investigation of the in vitro and in silico effects of certain flavones and flavonols on the enzyme activity of 6-phosphogluconate dehydrogenase

6-phosphogluconate dehydrogenase (6PGD) is an important enzyme in the pentose phosphate pathway that catalyzes the second step of oxidative metabolic pathways. 6PGD is among the new target enzymes for cancer therapy. Its inhibition may help fight cancer. In this thesis, it is aimed to investigate the effects of some flavones and flavonols on 6PGD enzyme activity. In vitro and in silico effects of Apigenin, Apiin, Baicalein, Baicalin and Luteolin from flavone class compounds and Kaempferol, Quercetin, Myricetin, Fisetin, Galangin and Morin from flovanol group compounds were tested. IC50 values obtained from in vitro results are in the range of 9,7-99 µM. In order to determine the enzyme-ligand interactions at the molecular level, a docking study was performed using AutoDock Vina and Molegro Virtual Docker MVD 2019.7.0 programs. It was observed that hydrogen bonds and hydrophobic interactions are effective in ligand-protein binding. It has been determined that benzene structures are involved in hydrophobic interactions. When in vitro and in silico studies are evaluated, it is thought that these molecules will play an important role in the determination of enzyme inhibitors.