Prediction of Binding Modes and Binding Energies between Bioactive Components of Magnolia Bark Extract and Human Serum Albumin by Theoretical methods

Magnolia Bark Extract (MBE), isolated from the stem bark of Magnolia officinalis has abroad range of potential efficacy such as anti-inflammatory, anti-cancer. Active phenolicconstituents of MBE are shown in fig. 1. As we know, Human Serum Albumin (HSA) is themost abundant protein in blood plasma [1]. HSA is mostly known for its ability to stash andtransport compounds. In this work interaction between the bioactive components of MBE andHSA, have been study by molecular docking method and Molecular dynamics (MD)simulation.