Molecular docking
study on the anti-diabetic and anti-inflammatory potential evaluation of phytochemicals
in Ruellia tuberosa ethanolic extract
Aswathi Sreenivasan C.V., Angayarkanni T. and Prasanna R. Kovath
Res. J. Biotech.; Vol. 20(9); 176-184;
doi: https://doi.org/10.25303/209rjbt1760184; (2025)
Abstract
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.
