In vitro and in silico interaction of faba bean (Vicia faba L.) seed extract with xanthine oxidase and evaluation of antioxidant activity as a therapeutic potential

Abstract

Acetone extract of faba bean (Vicia faba L.) was found to be highest total phenol and flavonoid content among all extracts. Antioxidant activity for inhibition percentage (free radical scavenging activity) had 86.47% for acetone extract, and 97.36% for ascorbic acid respectively. IC₅₀ value of ascorbic acid and acetone extact were found to be 9 μg/mL ± 0.20 and 30 μg/mL ± 0.21. Faba bean seeds had catechin, epicatechin, gallic acid and ellagic acid which on molecular docking study revealed that it binds effectively with xanthine oxidase by binding energy of –7.78, –6.11, –6.39, –5.78 kcal/mol respectively compared to allopurinol drug having binding energy of –4.94 kcal/mol. Gallic acid, ellagic acid, catechin, epicatechin (polyphenols) and allopurinol bind other than catalytic residues (Glu-1261) of xanthine oxidase. In vitro and in silico analysis recommended that mode of enzyme inhibition was mixed type.

Keywords:

• Antioxidant activity
• Vicia faba L.
• xanthine oxidase
• binding energy
• molecular docking

Acknowledgements

The author thank the School of Biochemical Engineering, Indian Institute of Technology (BHU), Varanasi, India for providing infrastructure for research work, National Bureau of Plant Genetic Resources (NBPGR) New Delhi and also thank the ministry of human resource development for providing research support grant.