Molecular docking method has been widely employed to predict the interaction between small chemical molecules and protein macromolecules, which can be well applied to predict the metabolic behavior of environmental compounds, such as drugs, herbal components, and food ingredients. The present study aims to predict the metabolic behavior of podophyllotoxin which is a natural lignan isolated from Podophyllum hexandrum, and has been reported exhibit various pharmacological activities. Podophyllotoxin can be well docked into the activity cavity of ...
