A Novel Green Extraction and Molecular Docking Study: Effect of Native Cyclodextrins and Derivatives on the Extraction of Andrographolide from <i>Andrographis paniculata</i> (Burm.f.) Nees

Abstract

Andrographolide (AP) is a sparingly water solubility bioactive compound from Andrographis paniculata. It exhibits  several pharmacological activities. With respect to its hydrophobicity, the high-yield extract of AP is primarily obtained  from organic solvents, which are considered as environmentally harmful substances. Therefore, the green extraction  using an alternative solvent is eventually performed to obtain the highest AP extract. The objectives of this study are to investigate the extraction efficiency of AP using different types of cyclodextrins (CDs) in aqueous media and in silico  molecular docking study of AP with the corresponding CDs. The cyclodextrinassisted extraction of AP using alpha  cyclodextrin (αCD), beta cyclodextrin (βCD), gamma cyclodextrin (γCD), methyl beta cyclodextrin (MβCD), trimethyl beta  cyclodextrin (triMβCD) and hydroxypropyl beta cyclodextrin (HPβCD) at a concentration of 1 mM was investigated in aqueous media comparing with water and methanol by ultrasonication. The amount of AP in each extract was  determined by an HPLC method. In screening process, HPβCD exhibited the highest extraction yield of AP compared  with the other CDs. However, it was significantly lower than that in the methanolic extract (P < 0.05). Subsequently, the  extraction of AP was performed as a function of HPβCD concentration. Increasing the concentration of HPβCD resulted  to obtain the better extraction yield of AP comparing with a positive control of methanol (P < 0.05). In conclusion, the  green extraction using HPβCD could be an alternative method to achieve a higher AP in the extract than that in the  methanolic extract.