POM analysis and related approaches are significant tools based on calculating various physico-chemical properties and predicting biological activity, ADME parameters, and toxicity of a molecule. These methods are used to evaluate a molecule's potential to become a drug candidate. Avenanthramides (AVNs) are promising secondary metabolites specific to Avena spp. (oat). They comprise the amides of anthranilic acid linked to various polyphenolic acids with or without post-condensation molecule transformation. These natural compounds have been reported to exert numerous biological effects, including antioxidant, anti-inflammatory, hepatoprotective, antiatherogenic, and antiproliferative properties. To date, almost 50 various AVNs have been identified. We performed a modified POM analysis of 42 AVNs using MOLINSPIRATION, SWISSADME, and OSIRIS software. The evaluation of primary in silico parameters revealed significant differences among individual AVNs, highlighting the most promising candidates. These preliminary results may help coordinate and initiate other research projects focused on particular AVNs, especially those with predicted bioactivity, low toxicity, optimal ADME parameters, and promising perspectives.
- Publikační typ
- časopisecké články MeSH
Biogenic amines are low-molecular-weight nitrogen compounds that are formed primarily by the decarboxyla-tion of amino acids by microbial enzymes. These active substances are found mainly in various types of food or beverages. At certain concentrations, biogenic amines are essential for many physiological functions but toxic if consumed in large quantities. Therefore, the development and optimization of methods sensitive to determine these substances are very much needed. The determination of biogenic amines in food and beverages by the most com-monly used separation methods with different types of detection is covered in this review.
Avenanthramides are biologically active substances of phenolic nature. They are present exclusively in oats where, however, their concentrations are relatively high (200 mg kg–1). Three of avenanthramides are mostly repre-sented in the oat grains: N-[3ʹ,4ʹ-dihydroxy-(E)-cinnamoyl]--5-hydroxyanthranilic acid (2c), N-[4ʹ-hydroxy-(E)-cinna-moyl]-5-hydroxyanthranilic acid (2p) and N-[4ʹ-hydroxy- -3ʹmethoxy-(E)-cinnamoyl]-5-hydroxyanthranilic acid (2f). Avenanthramides have significant biological effects, espe-cially antioxidative, but are also interesting due to the ben-eficial effects in oncological diseases, in the process of atherosclerosis, inflammation, diabetes mellitus or derma-tological diseases. Their interesting properties may lead to the inclusion of them in potential therapeutic drugs in the future. For this reason, the need of a study of avenan-thramides as well as of the methods of their determination is increasing. In the article we provide an overview of the latest trends in the extraction and determination of avenan-thramides.
- Klíčová slova
- avenantramidy,
- MeSH
- antioxidancia * MeSH
- arterioskleróza prevence a kontrola MeSH
- farmakokinetika MeSH
- lidé MeSH
- nádory prevence a kontrola MeSH
- oves MeSH
- polyfenoly * MeSH
- Check Tag
- lidé MeSH
- Publikační typ
- práce podpořená grantem MeSH
- přehledy MeSH
