Exploring of hypoglycemic mechanism of a Chinese Medicine Xiao-Ke-An based on target dipeptidyl peptidase-4:a molecular docking and molecular dynamics study
Abstract:Xiao-Ke-An, a traditional Chinese medicine formula against diabetes in China, is reported inhibitory activity on Dipeptidyl peptidase-4 (DPP-4). However, its molecular mechanism is still unclear due to the complexity of its components. In this study, a combination of molecular docking, molecular dynamics (MD) and molecular mechanics/Poisson Boltzmann surface area (MM-PBSA) method was conducted. The results show that multiple components of Xiao-Ke-An can take effect on DPP-4 together, which could be the part of… Show more
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