Chemical Potential Evaluation of Kaempferol Based on Molecular Modeling
摘要
We are presenting a characterization of the chemical activity of kaempferol based on the Density Functional Theory. In order to estimate the chemical potential of kaempferol, the energy of the highest occupied molecular orbital and the lowest unoccupied molecular orbital were computed. The molecular electrostatic potential 3D diagram was also determined, to point out the sites of the studied flavanol that are most prone to interact with phosphatidylinositol 3-kinases.