Determination of Bioactive Profile of Polygala vulgaris L. by GC-MS and Molecular Docking

Abstract

Plants, being immobile, are constantly exposed to various biotic and abiotic stresses, leading to the generation of reactive oxygen species (ROS) which disrupt cellular homeostasis and cause oxidative damage. To combat this, plants have evolved various enzymatic and non-enzymatic antioxidant mechanisms. This study investigates the enzymatic activities of key antioxidants in Polygala vulgaris L., a species within the Polygalaceae known for its medicinal properties. The enzymatic activities of), catalase (CAT), superoxide dismutase (SOD), manganese superoxide dismutase (MnSOD) and phenol oxidase (PO) were measured. Additionally, the content of malondialdehyde (MDA), a marker for oxidative stress, was determined. The methanol extract of P. vulgaris L. was analyzed using GC-MS to identify bioactive compounds, and molecular docking studies were conducted to assess the interactions and binding energies of these compounds with the lysosomal integral membrane protein-2 (LIMP 2). LIMP 2 interaction of the extract suggested that it may trigger Parkison's disease and at the same time protect the organism from enterovirus invasion. Results indicated significant antioxidant activity in P. vulgaris L., with potential implications for its use in mitigating oxidative stress-related cellular damage. The study provides a comprehensive overview of the antioxidant defense mechanisms in P. vulgaris L. and underscores its potential for future pharmacological applications.