Molecular docking study on the anti-diabetic and anti-inflammatory potential evaluation of phytochemicals in Ruellia tuberosa ethanolic extract

Natural products derived from medicinal plants have garnered significant interest as potential therapeutic agents. Ruellia tuberosa, commonly known as Minieroot, is rich in bioactive phytochemicals such as flavones, nonadecatrine and phytol, which exhibit diverse pharmacological properties including antidiabetic and anti-inflammatory effects. This study explores the molecular interactions between Ruellia tuberosa phytochemicals and key proteins associated with diabetes and inflammation using molecular docking simulations. The antidiabetic potential of these compounds was assessed through docking studies against human aldose reductase (PDB: 1C88) and glycogen synthase kinase-3β (PDB: 4QBX), both critical in diabetes-related pathways. Similarly, their anti-inflammatory properties were evaluated by docking against cyclooxygenase-2 (PDB: 2OYE) and cyclooxygenase-1 (PDB: 6COX), enzymes involved in inflammation and prostaglandin synthesis. The findings provide valuable insights into the molecular interactions of Ruellia tuberosa phytochemicals, supporting their potential as natural drug candidates for managing diabetes and inflammation.