Inhibitory Mechanism of Prenylated Flavonoids Isolated from Mulberry Leaves on α-Glucosidase by Multi-Spectroscopy and Molecular Dynamics Simulation.

Autor: Tian JL; College of Food Science, National R&D Professional Center For Berry Processing, National Engineering and Technology of Research Center For Small berry, Key Laboratory of Healthy Food Nutrition and Innovative Manufacturing, Liaoning Province, Shenyang Agricultural University, Shenyang, Liaoning 110866, China., Zhao M; College of Food Science, National R&D Professional Center For Berry Processing, National Engineering and Technology of Research Center For Small berry, Key Laboratory of Healthy Food Nutrition and Innovative Manufacturing, Liaoning Province, Shenyang Agricultural University, Shenyang, Liaoning 110866, China., Xu JY; Key Laboratory of Livestock Infectious Diseases, Ministry of Education, Key Laboratory of Ruminant Infectious Disease Prevention and Control (East), Ministry of Agriculture and Rural Affairs, College of Animal Science and Veterinary Medicine, Shenyang Agricultural University, Shenyang, Liaoning 110866, China., Lv TM; Key Laboratory of Livestock Infectious Diseases, Ministry of Education, Key Laboratory of Ruminant Infectious Disease Prevention and Control (East), Ministry of Agriculture and Rural Affairs, College of Animal Science and Veterinary Medicine, Shenyang Agricultural University, Shenyang, Liaoning 110866, China., Liu XC; Key Laboratory of Research on Pathogenesis of Allergen Provoked Allergic Disease in Liaoning Province, Shenyang Medical College, Shenyang 110034, China., Sun S; Key Laboratory of Livestock Infectious Diseases, Ministry of Education, Key Laboratory of Ruminant Infectious Disease Prevention and Control (East), Ministry of Agriculture and Rural Affairs, College of Animal Science and Veterinary Medicine, Shenyang Agricultural University, Shenyang, Liaoning 110866, China., Guan Q; Key Laboratory of Livestock Infectious Diseases, Ministry of Education, Key Laboratory of Ruminant Infectious Disease Prevention and Control (East), Ministry of Agriculture and Rural Affairs, College of Animal Science and Veterinary Medicine, Shenyang Agricultural University, Shenyang, Liaoning 110866, China., Zhou ZC; Key Laboratory of Livestock Infectious Diseases, Ministry of Education, Key Laboratory of Ruminant Infectious Disease Prevention and Control (East), Ministry of Agriculture and Rural Affairs, College of Animal Science and Veterinary Medicine, Shenyang Agricultural University, Shenyang, Liaoning 110866, China., Wu J; Key Laboratory of Livestock Infectious Diseases, Ministry of Education, Key Laboratory of Ruminant Infectious Disease Prevention and Control (East), Ministry of Agriculture and Rural Affairs, College of Animal Science and Veterinary Medicine, Shenyang Agricultural University, Shenyang, Liaoning 110866, China., Zhao MY; College of Food Science, National R&D Professional Center For Berry Processing, National Engineering and Technology of Research Center For Small berry, Key Laboratory of Healthy Food Nutrition and Innovative Manufacturing, Liaoning Province, Shenyang Agricultural University, Shenyang, Liaoning 110866, China., Li Y; College of Food Science, National R&D Professional Center For Berry Processing, National Engineering and Technology of Research Center For Small berry, Key Laboratory of Healthy Food Nutrition and Innovative Manufacturing, Liaoning Province, Shenyang Agricultural University, Shenyang, Liaoning 110866, China., Liu HX; College of Food Science, National R&D Professional Center For Berry Processing, National Engineering and Technology of Research Center For Small berry, Key Laboratory of Healthy Food Nutrition and Innovative Manufacturing, Liaoning Province, Shenyang Agricultural University, Shenyang, Liaoning 110866, China., Niu SL; College of Food Science, National R&D Professional Center For Berry Processing, National Engineering and Technology of Research Center For Small berry, Key Laboratory of Healthy Food Nutrition and Innovative Manufacturing, Liaoning Province, Shenyang Agricultural University, Shenyang, Liaoning 110866, China.; Key Laboratory of Livestock Infectious Diseases, Ministry of Education, Key Laboratory of Ruminant Infectious Disease Prevention and Control (East), Ministry of Agriculture and Rural Affairs, College of Animal Science and Veterinary Medicine, Shenyang Agricultural University, Shenyang, Liaoning 110866, China., Hu P; Key Laboratory of Research on Pathogenesis of Allergen Provoked Allergic Disease in Liaoning Province, Shenyang Medical College, Shenyang 110034, China.
Jazyk: angličtina
Zdroj: Journal of agricultural and food chemistry [J Agric Food Chem] 2023 Jun 14; Vol. 71 (23), pp. 9135-9147. Date of Electronic Publication: 2023 Jun 02.
DOI: 10.1021/acs.jafc.3c00776
Abstrakt: Flavonoids have always been considered as the chemical basis for the hypoglycemic effect of mulberry leaves. In the course of our search for hypoglycemic effect agents from natural sources, a systematic study was launched to explore prenylated flavonoids from mulberry leaves. Herein, chemical investigation led to the isolation of 10 characteristic prenylated flavonoids, including two new compounds ( 1 and 3 ). Their structures were elucidated based on spectroscopic data. All compounds exhibited good α-glucosidase inhibitory activity in vitro , among which compound 2 had the best activity (IC 50 = 2.6 μM), better than acarbose (IC 50 = 19.6 μM). Additional in vivo tests have further demonstrated compound that compound 2 has a good ability to reduce postprandial blood glucose. Then, multi-spectroscopic methods and molecular simulation studies were used to study the inhibition mechanism. The results showed that compound 2 was a mixed inhibition of α-glucosidase and the binding process was spontaneous, with van der Waals forces as the main driving force, followed by hydrogen bonding and electrostatic forces. The above studies enriched the chemical basis of mulberry leaves, and the application of computational chemistry also provided a reference for future research on such structures.
Databáze: MEDLINE
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