Rutin as a Potential Multi-Target Agent for Diabetic Wound Healing: A Molecular Docking Study on AKR1B1, COX-2, and MMP-9

Abstract

Diabetic wound healing is hindered by the interplay of oxidative stress, chronic inflammation, and excessive extracellular matrix degradation, which collectively delay tissue repair. Conventional treatments often address only single pathological pathways, resulting in suboptimal outcomes. This study aimed to evaluate the multitarget potential of rutin, a natural flavonoid, against key proteins implicated in diabetic wound pathology, such as aldose reductase (AKR1B1), cyclooxygenase-2 (COX-2), and matrix metalloproteinase-9 (MMP-9) using molecular docking analysis. The three-dimensional structures of rutin and the target proteins were obtained from the PubChem and Protein Data Bank databases, respectively, and docking simulations were performed using Molegro Virtual Docker 6.0. Rutin exhibited favorable binding affinities toward all targets, with the strongest predicted interaction observed for COX-2 (MolDock score −184.339), followed by AKR1B1 (−169.803) and MMP-9 (−160.330). Hydrogen bond analysis indicated significant contributions to complex stability, particularly for COX-2 and MMP-9. These findings suggest that rutin may modulate oxidative stress, inflammation, and extracellular matrix remodeling simultaneously. Overall, rutin demonstrates promising multitarget potential for diabetic wound healing, warranting further validation through molecular dynamics and experimental studies.