Study on Molecular Recognition of Pinocembrin with Methylated-β-Cyclodextrin

Publication date: March 2019Source: Chinese Journal of Analytical Chemistry, Volume 47, Issue 3Author(s): Yao DU, Shu-Ya ZHOU, Yun-Han YANG, Jun-Li YANG, Wen CHEN, Li-Juan YANGAbstractThe inclusion behavior, inclusion capacity and inclusion mode of pinocembrin (PIN) with dimethyl-β-cyclodextrin (DM-β-CD) and trimethyl-β-cyclodextrin (TM-β-CD) were characterized by X-ray diffraction (XRD), thermal analysis, scanning electron microscopy (SEM), UV-visible spectral titration and molecular docking. The results showed that the packing ratio of PIN/DM-β-CD complex and PIN/TM-β-CD complex was 1:1. The water solubility of PIN increased by 817 times and 575 times in the inclusion complex with DM-β-CD and TM-β-CD, respectively. Molecular docking showed the PIN entered from the large end of the DM-β-CD molecule and penetrated through the cavity. The A and B rings of the PIN were respectively located at the big and small ends of the CD molecule. For the TM-β-CD, only A and C rings of the PIN entered the cavity of CD.Graphical abstractThe inclusion behavior, inclusion capacity and inclusion mode of pinocembrin (PIN) with methylated-β-cyclodextrin (DM-β-CD or TM-β-CD) were investigated and characterized. The results showed that the water solubility and stability of PIN were improved after the inclusion complex is formed. The satisfactory characterization and stability of the PIN/CD complexes should be potentially useful for its medical application.
Source: Chinese Journal of Analytical Chemistry - Category: Chemistry Source Type: research