ACE-inhibitory peptides from Morchella esculenta: screening, kinetics, and molecular dynamics simulation

IF 9.8 1区农林科学 Q1 CHEMISTRY, APPLIED

Food Chemistry Pub Date : 2025-06-06 DOI:10.1016/j.foodchem.2025.145011

Wenjun Zeng , Xudong Yu , Mingfeng Chen , Huiling Zhang , Jucai Xu , Xiaofang Zeng , Ying Liang

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Abstract

The global prevalence of hypertension has doubled over the past three decades and it is projected to escalate further. Hypertension is a global health concern that is closely linked to angiotensin-converting enzyme (ACE) regulation. Conventional ACE inhibitors demonstrate clinical efficacy; however, their frequent adverse effects underscore an urgent demand for safer therapeutic alternatives. In this context, our study investigates Morchella esculenta as a potential natural source of ACE-inhibitory peptides. The <3 kDa fraction was identified as exhibiting the highest inhibitory activity through the systematic screening of hydrolysates across multiple molecular weight ranges. HPLC-MS/MS analysis identified 163 peptides, of which five were selected for further experiments. Solid-phase synthesis confirmed that LIVPSLPGYAF exhibited the strongest ACE inhibition (IC₅₀ = 50.99 μM). Inhibition kinetics showed LIVPSLPGYAF acted as a mixed-type inhibitor, while GLGPLAQLIWDR and LIFHSFGGTGSGF functioned as competitive inhibitors. Molecular dynamics simulations validated their stable binding to the ACE complex. These findings suggested that Morchella esculenta is a natural source of ACE inhibitory peptides and can potentially be used as a component in functional foods for the treatment of hypertension.

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羊肚菌ace抑制肽：筛选、动力学和分子动力学模拟

在过去三十年中，全球高血压患病率翻了一番，预计还会进一步上升。高血压是一个与血管紧张素转换酶（ACE）调节密切相关的全球性健康问题。常规ACE抑制剂显示临床疗效；然而，它们频繁的副作用强调了对更安全的治疗替代品的迫切需求。在这种情况下，我们的研究调查羊肚菌作为ace抑制肽的潜在天然来源。通过系统筛选多个分子量范围内的水解产物，鉴定出<；3 kDa片段具有最高的抑制活性。HPLC-MS/MS分析鉴定出163个多肽，其中5个被选择用于进一步的实验。固相合成证实LIVPSLPGYAF具有最强的ACE抑制作用（IC50 = 50.99 μM）。抑制动力学表明LIVPSLPGYAF是混合型抑制剂，GLGPLAQLIWDR和LIFHSFGGTGSGF是竞争性抑制剂。分子动力学模拟验证了它们与ACE复合物的稳定结合。这些发现表明羊肚菌是ACE抑制肽的天然来源，可以作为治疗高血压的功能性食品的成分。

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来源期刊

Food Chemistry 工程技术-食品科技

CiteScore

16.30

自引率

10.20%

发文量

3130

审稿时长

122 days

期刊介绍： Food Chemistry publishes original research papers dealing with the advancement of the chemistry and biochemistry of foods or the analytical methods/ approach used. All papers should focus on the novelty of the research carried out.