Rutin Attenuates Oxidative Stress Associated with Aging: Molecular Docking Study

Abstract

: Aging is one of the major risk factors associated chronic diseases. Oxidative stress is one of the aging associated mechanisms induced by pro-oxidants. Oxidative stress is an imbalance between free radicals and antioxidants in body cells. In the current study, we investigated the molecular docking scores of rutin with aging associated biomarkers, including human β -galactosidase, caspase-8, caspase-9, caspase-3, phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta (PK3CD), phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma (PK3CG), and RAC-alpha serine/threonine-protein kinase (AKT1). All proteins were retrieved from RCSB PDB database (https://www.rcsb.org/), while rutin three-dimensional structure was obtained from PubChem database (https://pubchem.ncbi.nlm.nih.gov/). The docking process was achieved by InstaDock software (https://instadock.webs.com/) and visualized by BIOVIA Discovery Studio Visualizer software. Rutin exhibited binding affinity (p Ki ) against AKT1, PK3CD, PK3CG, β -galactosidase, caspase-8, caspase-9, and caspase-3 of 7.85, 7.04, 6.89, 6.82, 5.94, 5.57, and 5.50, respectively. The obtained data revealed that rutin exhibited marked binding affinity to these biomarkers revealing its anti-aging potential.