Multispectral and Molecular Dynamics Study on the Interactions Between α-Amylase and Four Sesquiterpene Lactone
Xiaoyan Ma1, Qianghui Mian1, Chengyu Shi1
1School of Pharmacy, Xinjiang Medical University, Urumqi, People's Republic of China.
Journal of Molecular Recognition : JMR
|December 4, 2025
Summary
Four Asteraceae plant compounds were studied for their effects on alpha-amylase. Compound B showed the strongest inhibition via competitive mechanism, suggesting potential for new antidiabetic drugs.
Area of Science:
- Biochemistry
- Pharmacology
- Natural Products Chemistry
Background:
- Alpha-amylase is a key enzyme in carbohydrate digestion.
- Inhibition of alpha-amylase can help manage blood glucose levels.
- Sesquiterpene lactones are natural compounds with diverse biological activities.
Purpose of the Study:
- To compare the inhibitory effects of four sesquiterpene lactones on alpha-amylase.
- To elucidate the inhibitory mechanisms of these compounds.
- To explore their potential as antidiabetic agents.
Main Methods:
- Enzymatic kinetics assays were performed.
- Multi-spectral techniques were employed.
- Molecular docking simulations were conducted.
Main Results:
- Compounds A, B, and C competitively inhibited alpha-amylase.
- Compound D exhibited non-competitive inhibition.
- Compound B demonstrated the strongest inhibitory activity and binding affinity.
- Stable protein-ligand complexes were formed via hydrogen bonding and hydrophobic interactions.
Conclusions:
- Sesquiterpene lactones effectively inhibit alpha-amylase.
- Compound B is a potent inhibitor with strong binding affinity.
- These findings provide a basis for developing antidiabetic functional foods and drugs.
