Citation: DU Yao, ZHOU Shu-Ya, YANG Yun-Han, YANG Jun-Li, CHEN Wen, YANG Li-Juan. Study on Molecular Recognition of Pinocembrin with Methylated-β-Cyclodextrin[J]. Chinese Journal of Analytical Chemistry, ;2019, 47(3): 371-379. doi: 10.19756/j.issn.0253-3820.181571 shu

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

1.
School of Chemistry and Environment, Key Laboratory of Ethnic Medicine Resource Chemistry, State Ethnic Affairs Commission & Ministry of Education, Yunnan Minzu University, Kunming 650500, China;
2.
Key Laboratory of Medicinal Chemistry for Natural Resource, Ministry of Education, Yunnan University, Kunming 650091, China

Received Date: 3 September 2018
Revised Date: 7 November 2018

Fund Project: This work was supported by the National Natural Science Foundation of China (Nos. 21762051, 21562048) and the Organic Functional Molecules and Materials Innovation Team in Universities of Yunnan Province.

The 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, differential scanning calorimetry, scanning electron microscopy, 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 respectively increased 817 times and 575 times in the inclusion complex with DM-β-CD and TM-β-CD. Molecular docking showed the pinocembrin 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 cyclodextrin molecule. For the TM-β-CD, only A and C rings of the PIN entered cavity of cyclodextrin.
- Pinocembrin,
- Dimethyl-β-cyclodextrin,
- Trimethyl-β-cyclodextrin,
- Inclusion complex,
- Molecular recognition
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沈阳化工大学材料科学与工程学院沈阳 110142