Nepetanudoside B, a potential new food additive isolated from Nepeta aristata: antioxidant, antibacterial, DFT, ADME/T, PASS prediction and MTT analysis studies

IF 3.2 3区农林科学 Q2 FOOD SCIENCE & TECHNOLOGY

European Food Research and Technology Pub Date : 2025-07-04 DOI:10.1007/s00217-025-04831-w

Yunus Basar, Semiha Yenigun, Tevfik Ozen, Ibrahim Demirtas, Ozge Balpınar, Lutfi Behcet

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Abstract

Nutritional problems and food shortages worldwide drive increased focus on research on new and highly effective food supplements. Nepetanudoside B (NNB), an iridoid derivative found in Nepeta species, was isolated by preparative HPLC from the active methanol fraction of Nepeta aristata. The results showed that NNB was more effective than α-tocopherol in reducing power and phosphomolybdenum reducing activities. On the other hand, NNB was more effective than ascorbic acid in H₂O₂ and superoxide anion radical scavenging activities. NNB showed effective antimicrobial activity against S. aureus, E. faecalis, and K. pneumoniae pathogens. Moreover, the NNB has high gastrointestinal absorption and low toxicity in ADME/T prediction. In the DFT study, NNB had low softness (0.181 eV^-1), high hardness (2.762 eV), substantial electrophilicity value (2.179 eV), and BDE value (108.79 kcal/mol). The PASS was utilized to forecast the biological activity profiles of NNB before biological testing. In the MTT test, it was observed how different doses of NNB in the human oral fibroblast cell line affected cell viability, and it was found that NNB had no harmful effects. Therefore, NNB can be used in the food industry due to its antioxidant and antibacterial effects.

Graphical Abstract

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从荆芥中分离得到的一种潜在的新型食品添加剂荆芥苷B：抗氧化、抗菌、DFT、ADME/T、PASS预测和MTT分析研究

世界范围内的营养问题和粮食短缺促使人们越来越重视对新型高效食品补充剂的研究。采用制备高效液相色谱法从荆芥活性甲醇组分中分离得到荆芥苷B （NNB）。结果表明，NNB在还原力和还原磷钼活性方面均优于α-生育酚。另一方面，NNB对H2O2和超氧阴离子自由基的清除能力优于抗坏血酸。NNB对金黄色葡萄球菌、粪肠球菌和肺炎克雷伯菌均有较好的抗菌活性。此外，NNB在预测ADME/T时具有高胃肠道吸收和低毒性。在DFT研究中，NNB具有较低的柔软度（0.181 eV-1），较高的硬度（2.762 eV），较高的亲电性值（2.179 eV）和BDE值（108.79 kcal/mol）。在生物试验前，利用PASS预测NNB的生物活性谱。在MTT试验中，观察了不同剂量的NNB对人口腔成纤维细胞系细胞活力的影响，发现NNB无有害作用。因此，NNB具有抗氧化和抗菌作用，可用于食品工业。图形抽象

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来源期刊

European Food Research and Technology 工程技术-食品科技

CiteScore

6.60

自引率

3.00%

发文量

232

审稿时长

2.0 months

期刊介绍： The journal European Food Research and Technology publishes state-of-the-art research papers and review articles on fundamental and applied food research. The journal''s mission is the fast publication of high quality papers on front-line research, newest techniques and on developing trends in the following sections: -chemistry and biochemistry- technology and molecular biotechnology- nutritional chemistry and toxicology- analytical and sensory methodologies- food physics. Out of the scope of the journal are: - contributions which are not of international interest or do not have a substantial impact on food sciences, - submissions which comprise merely data collections, based on the use of routine analytical or bacteriological methods, - contributions reporting biological or functional effects without profound chemical and/or physical structure characterization of the compound(s) under research.