The interaction mechanisms analysis of shikonin with α-glucosidase by multi-spectroscopic and molecular docking methods

被引：0
|
作者：
Liu, Dan [1 ]
Cheng, Ye [1 ]
Li, Yan-jun [1 ]
Miao, Jing-yi [1 ]
Cao, Xiang-yu [1 ,2 ]
机构：
[1] Liaoning Univ, Sch Life Sci, Shenyang, Peoples R China
[2] Liaoning Univ, Sch Life Sci, 66 Chongshan Middle Rd, Shenyang 110036, Peoples R China
来源：
SPECTROSCOPY LETTERS | 2024年 / 57卷 / 02期
关键词：
Shikonin; alpha-glucosidase; spectroscopy; interaction mechanism; type 2 diabetes mellitus; molecular docking; MOLTEN GLOBULE STATE; HUMAN SERUM-ALBUMIN; N-ALKYL SULFATES; INHIBITORY MECHANISM; CYTOCHROME-C; BETA-CASEIN; BINDING INTERACTION; ACID; PROANTHOCYANIDINS; KINETICS;
D O I：
10.1080/00387010.2024.2313788
中图分类号：
O433 [光谱学];
学科分类号：
0703 ; 070302 ;
摘要：
This study aimed to investigate the binding mechanism of shikonin with alpha-glucosidase by multi-spectroscopic and molecular docking technologies. These data suggested that shikonin spontaneously interacted with alpha-glucosidase primarily through hydrogen bonds (H-bond) and van der Waals forces (vdW), the quenching mechanism was static quenching. At 298 K, the quenching rate constant and binding constant were (1.00 +/-; 0.06) x 10(12 )L mol-1 s(-1) and (2.32 +/- 0.04) x 10(4) L mol(-1), respectively. Molecular docking analysis also confirmed the results of the spectroscopic method. These results are helpful in understanding the interaction mechanism between shikonin and alpha-glucosidase.
引用
收藏
页码：103 / 114
页数：12
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