Synthesis, Biological Evaluation, and Computational Studies of Phenolic N-Acetylglucosamine Glycosides as α-Glucosidase Inhibitors
文献类型：期刊论文
| 作者 | Wang, Wenjie2,4; Gao, Kun4; Li, Guantian4; Wang, Zongji3; Li, Kecheng1,4; Liu, Song1,4; Yu, Huahua1,4; Xing, Ronge1,4 |
| 刊名 | MARINE DRUGS
 |
| 出版日期 | 2026-02-19 |
| 卷号 | 24期号:2页码:18 |
| 关键词 | alpha-glucosidase inhibitor
|
| DOI | 10.3390/md24020084 |
| 通讯作者 | Xing, Ronge(xingronge@qdio.ac.cn) |
| 英文摘要 | Type 2 diabetes mellitus (T2DM) is one of the most prevalent chronic metabolic diseases, and inhibition of alpha-glucosidase activity represents an effective therapeutic strategy. Chitin is the most abundant renewable polysaccharide in the ocean, with its monosaccharide being N-acetylglucosamine (NAG). To evaluate the potential of NAG glycosides as novel alpha-glucosidase inhibitors, three common phenolic compounds were modified via NAG glycosylation. Their inhibitory activities were assessed at both the enzymatic and cellular levels. In addition, density functional theory (DFT), molecular dynamics (MD) simulations, and molecular docking analyses were employed to systematically investigate the effects of NAG glycosylation on enzyme inhibition and the underlying mechanisms. Compared with the parent phenolic compounds, NAG glycosides exhibited significantly enhanced alpha-glucosidase inhibitory activity, with NAG introduction markedly improving their binding affinity to alpha-glucosidase. Among them, glycoside 3a displayed the optimal inhibitory effect, comparable to acarbose, and at the cellular level, its activity at high concentrations was comparable to or slightly higher than that of metformin. Circular dichroism (CD) and MD analyses indicated that glycoside 3a increased the conformational flexibility of key residues and enhanced the structural looseness of the enzyme, thereby inhibiting its activity. NAG glycosides constitute a promising class of marine-derived alpha-glucosidase inhibitors, warranting further structural optimization and rational design to enhance their activity and selectivity. |
| 资助项目 | Modern Agro-industry Technology Research System[CARS-49] ; Central guidance for local scientific and technological development funds[2024ZY0039] ; Key R&D Program (Major Scientific and Technological Innovation Project) of Shandong Province, China[2022CXGC020413] ; Qingdao Natural Science Foundation[25-1-1-186-zyyd-jch] ; National Natural Science Foundation of China[42276097] ; National Natural Science Foundation of China[42406119] ; Taishan Industrial Experts Program |
| WOS研究方向 | Pharmacology & Pharmacy |
| 语种 | 英语 |
| WOS记录号 | WOS:001700708000001 |
| 出版者 | MDPI |
| 源URL | [http://ir.qdio.ac.cn/handle/337002/204832]  |
| 专题 | 海洋研究所_实验海洋生物学重点实验室 |
| 通讯作者 | Xing, Ronge |
| 作者单位 | 1.Qingdao Marine Sci & Technol Ctr, Lab Marine Drugs & Bioprod, Qingdao 266237, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.Linyi Univ, Regenerat Med Innovat Inst, Linyi 276012, Peoples R China 4.Chinese Acad Sci, Inst Oceanol, Lab Expt Marine Biol, Qingdao 266000, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, Wenjie,Gao, Kun,Li, Guantian,et al. Synthesis, Biological Evaluation, and Computational Studies of Phenolic N-Acetylglucosamine Glycosides as α-Glucosidase Inhibitors[J]. MARINE DRUGS,2026,24(2):18. |
| APA | Wang, Wenjie.,Gao, Kun.,Li, Guantian.,Wang, Zongji.,Li, Kecheng.,...&Xing, Ronge.(2026).Synthesis, Biological Evaluation, and Computational Studies of Phenolic N-Acetylglucosamine Glycosides as α-Glucosidase Inhibitors.MARINE DRUGS,24(2),18. |
| MLA | Wang, Wenjie,et al."Synthesis, Biological Evaluation, and Computational Studies of Phenolic N-Acetylglucosamine Glycosides as α-Glucosidase Inhibitors".MARINE DRUGS 24.2(2026):18. |
入库方式： OAI收割
来源：海洋研究所
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