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中国乳山干酪副产物乳清水解物中ACE抑制肽的鉴定、结构表征及分子动力学模拟

Identification, structural characterization, and molecular dynamic simulation of ACE inhibitory peptides in whey hydrolysates from Chinese Rushan cheese by-product.

作者信息

Wei Guangqiang, Wang Teng, Li Yiyan, He Rong, Huang Aixiang, Wang Xuefeng

机构信息

College of Food Science & Technology, Yunnan Agricultural University, Kunming 650201, Yunnan, China.

College of Food Science and Engineering, Nanjing University of Finance and Economics, Nanjing 210003, Jiangsu, China.

出版信息

Food Chem X. 2024 Feb 10;21:101211. doi: 10.1016/j.fochx.2024.101211. eCollection 2024 Mar 30.

DOI:10.1016/j.fochx.2024.101211
PMID:38384691
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10878854/
Abstract

To realize the high-value utilization of Rushan cheese by-product, Rushan cheese whey was used as a raw material to prepare angiotensin-Ⅰ-converting enzyme inhibitory peptides (ACEIPs). After enzymatic hydrolysisn and ultrafiltration, the sequences of peptides were identified by liquid chromatography-mass spectrometry/mass spectrometry (LC-MS/MS). Two novel ACE inhibitory peptides Phe-Asp-Arg-Pro-Phe-Leu (FDRPFL) and Lys-Trp-Glu-Lys-Pro-Phe (KWEKPF) were identified. Additionally, both of the peptides exhibited good water-solubility and no toxicity according to prediction. Fourier transform infrared spectroscopy results show that both FDRPFL and KWEKPF were enriched in -turn and -sheet structures. Lineweaver-Burk plots revealed that FDRPFL and KWEKPF exhibited non-competitive and mixed inhibition patterns, respectively. Molecular docking and MD simulation showed that hydrogen bonds and ionic bonds forces allowed FDRPFL and KWEKPF to form stable and compact complexes with ACE. In conclusion, enzymatic hydrolysis of Rushan cheese by-products yields bioactive peptides, increases the added value of whey and reduces environmental pollution.

摘要

为实现乳山奶酪副产物的高值化利用,以乳山奶酪乳清为原料制备血管紧张素Ⅰ转化酶抑制肽(ACEIPs)。经酶解和超滤后,采用液相色谱-质谱/质谱(LC-MS/MS)鉴定肽段序列。鉴定出两种新型ACE抑制肽苯丙氨酸-天冬氨酸-精氨酸-脯氨酸-苯丙氨酸-亮氨酸(FDRPFL)和赖氨酸-色氨酸-谷氨酸-赖氨酸-脯氨酸-苯丙氨酸(KWEKPF)。此外,根据预测,这两种肽均表现出良好的水溶性且无毒性。傅里叶变换红外光谱结果表明,FDRPFL和KWEKPF均富含β-转角和β-折叠结构。Lineweaver-Burk图显示,FDRPFL和KWEKPF分别表现出非竞争性和混合型抑制模式。分子对接和分子动力学模拟表明,氢键和离子键作用使FDRPFL和KWEKPF与ACE形成稳定且紧密的复合物。总之,乳山奶酪副产物的酶解产生了生物活性肽,提高了乳清的附加值并减少了环境污染。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8c9/10878854/539cbee141e4/fx3.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8c9/10878854/fce0d1a7a3f6/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8c9/10878854/7e5007ebdf4d/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8c9/10878854/22203eff07bf/gr4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8c9/10878854/3427c985eb1f/gr5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8c9/10878854/5bbd83d97d10/fx1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8c9/10878854/0d139ceb3a25/fx2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8c9/10878854/539cbee141e4/fx3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8c9/10878854/d1be66032bcc/ga1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8c9/10878854/38d80a1c8b72/gr1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8c9/10878854/fce0d1a7a3f6/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8c9/10878854/7e5007ebdf4d/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8c9/10878854/22203eff07bf/gr4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8c9/10878854/3427c985eb1f/gr5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8c9/10878854/5bbd83d97d10/fx1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8c9/10878854/0d139ceb3a25/fx2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8c9/10878854/539cbee141e4/fx3.jpg

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