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绿色超声辅助从[具体来源未给出]中提取黄酮类酶抑制剂的深共晶溶剂萃取:工艺优化、表征及对α-葡萄糖苷酶和酪氨酸酶抑制作用的机理洞察

Green ultrasound‑assisted deep eutectic solvent extraction of flavonoid enzyme inhibitors from : process optimization, characterization, and mechanistic insights into ‑glucosidase and tyrosinase inhibition.

作者信息

Dai Wei, Dai Liping, Su Tao, Lin Qin, Lin Zhiwen, Ye Shuxin, Xu Peihao, Chen Hongfeng, Zheng Xilong

机构信息

Teaching and Experimental Center, Guangdong Pharmaceutical University, Guangzhou, China.

Comprehensive Experimental Teaching Center of Traditional Chinese Medicine, Guangdong Pharmaceutical University, Yunfu, China.

出版信息

J Enzyme Inhib Med Chem. 2025 Dec;40(1):2552445. doi: 10.1080/14756366.2025.2552445. Epub 2025 Sep 4.

Abstract

A green ultrasound-assisted deep eutectic solvent (UAEDES) method was optimised for extracting flavonoid enzyme inhibitors from . Optimal conditions (choline chloride-1,4-butanediol 1:3 molar ratio, 43% water content, 50 mL/g liquid-to-solid ratio, 80 °C ultrasound for 48 min) yielded 3.15% total flavonoids, 45.2% higher than 50% ethanol extraction. Scanning electron microscopy confirmed cell wall disruption. The UAE-DES extract showed the strongest enzyme inhibition among all extracts tested (IC 35.872 ± 0.294 µg/mL for -glucosidase, 9.126 ± 0.285 μg/mL for tyrosinase), though the -glucosidase inhibition was much weaker than acarbose, while tyrosinase inhibition was comparable to kojic acid. Six flavonoids were identified via UPLC-Q-Orbitrap HRMS, including scutellarein and corylin. Molecular docking revealed strong binding affinities (≤ -5 kcal/mol), with corylin showing the highest binding to both enzymes through hydrogen bonds and van der Waals interactions. This approach supports sustainable discovery of natural enzyme inhibitors for antidiabetic and skin-whitening applications.

摘要

一种绿色超声辅助深共熔溶剂(UAEDES)方法被优化用于从……中提取黄酮类酶抑制剂。最佳条件(氯化胆碱与1,4 - 丁二醇摩尔比为1:3、含水量43%、液固比50 mL/g、80℃超声处理48分钟)得到3.15%的总黄酮,比50%乙醇提取法高出45.2%。扫描电子显微镜证实细胞壁被破坏。在所有测试提取物中,UAEDES提取物显示出最强的酶抑制作用(对α - 葡萄糖苷酶的IC为35.872±0.294μg/mL,对酪氨酸酶的IC为9.126±0.285μg/mL),尽管对α - 葡萄糖苷酶的抑制作用比阿卡波糖弱得多,而对酪氨酸酶的抑制作用与曲酸相当。通过超高效液相色谱 - 四极杆 - 轨道阱高分辨质谱鉴定出六种黄酮类化合物,包括黄芩素和紫铆因。分子对接显示出很强的结合亲和力(≤ -5 kcal/mol),紫铆因通过氢键和范德华相互作用对两种酶都表现出最高的结合力。这种方法支持可持续发现用于抗糖尿病和美白皮肤应用的天然酶抑制剂。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/82c1/12412317/4df088c50be8/IENZ_A_2552445_F0001_B.jpg

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