Nghiên cứu in silico khả năng gắn kết của các chất có trong sâm Việt Nam (Panax vietnamensis) trên enzym peroxiredoxin 5

Abstract

As Vietnamese ginseng (Panax vietnamensis) is known to contain a large amount of saponins of valuable antioxidative stress activity, their antioxidant potential against the mamaI thioredoxin peroxidase Peroxiredoxin 5, which is currenly identified as the target for antioxidant compounds due to its role in eliminating hydrogen peroxide and neutralizing other reactive oxygen species, was estimated by Autodock Vina in terms of their in silico binding affinities. Of the tested saponins, all showed remarkable binding ability to Peroxiredoxin 5 with the binding energy ranging from -5.7 kcal/mol to -8.2 kcal/mol, and some exhibited especially high binding energies, individually as follows: Vinaginsenoside R5 (-8.2 kcal/mol), Vinaginsenoside R3 (-7.7 kcal/mol), Ginsenoside Rh₁ (-7.5 kcal/mol), Vinaginsenoside R8 (-7.5 kcal/mol), Vinaginsenoside R23 (-7.6 kcal/mol), Ginsenoside Rb₂ (-7.7 kcal/mol). This proved these compounds worthy of further study in vitro and in vivo on their therapeutic value for controling oxidative stress in treatment of some related diseases.