Quantitative Structure-Activity Relationship, Ontology-Based Model of the Antioxidant and Cell Protective Activity of Peat Humic Acids.

Autor: Zykova MV; Pharmaceutical Faculty, Siberian State Medical University, Tomsk 634050, Russia., Brazovskii KS; Research School of Chemistry & Applied Biomedical Sciences, National Research Tomsk Polytechnic University, Tomsk 634050, Russia., Bratishko KA; Pharmaceutical Faculty, Siberian State Medical University, Tomsk 634050, Russia., Buyko EE; Pharmaceutical Faculty, Siberian State Medical University, Tomsk 634050, Russia., Logvinova LA; Pharmaceutical Faculty, Siberian State Medical University, Tomsk 634050, Russia., Romanenko SV; Pharmaceutical Faculty, Siberian State Medical University, Tomsk 634050, Russia.; Research School of Chemistry & Applied Biomedical Sciences, National Research Tomsk Polytechnic University, Tomsk 634050, Russia., Konstantinov AI; Department of Chemistry, Lomonosov Moscow State University, Leninskiye Gory 1-3, Moscow 119991, Russia., Krivoshchekov SV; Pharmaceutical Faculty, Siberian State Medical University, Tomsk 634050, Russia., Perminova IV; Department of Chemistry, Lomonosov Moscow State University, Leninskiye Gory 1-3, Moscow 119991, Russia., Belousov MV; Pharmaceutical Faculty, Siberian State Medical University, Tomsk 634050, Russia.; Research School of Chemistry & Applied Biomedical Sciences, National Research Tomsk Polytechnic University, Tomsk 634050, Russia.
Jazyk: angličtina
Zdroj: Polymers [Polymers (Basel)] 2022 Aug 12; Vol. 14 (16). Date of Electronic Publication: 2022 Aug 12.
DOI: 10.3390/polym14163293
Abstrakt: Peat humic acids are well known for their wide range of biological effects which can be attributed to the complex chemical structure of naturally occurring humic substances. One of the promising tools is an ontology-based quantitative analysis of the relationship between physical and chemical parameters describing a chemical structure of peat humic acids and their biological activity. This article demonstrates the feasibility of such an approach to estimate the antioxidant and cell protective properties of the peat humic acids. The structural parameters of the peat humic acids were studied by electronic, fluorescence, infrared, 13 C-NMR spectroscopy, titrimetric analysis, elemental C,H,N, and O- analysis, and gel chromatography. Antioxidant and antiradical activities were assessed by physicochemical methods of analysis: electronic paramagnetic resonance, cathodic voltammetry, ABTS •+ scavenging, assay of DPPH radical-scavenging activity, assay of superoxide radical-scavenging activity, iron chelating activity, and scavenging of hydroxyl radicals. Cytoprotective activity was evaluated by the neutral red-based cytotoxicity test in 3T3-L1 cell culture in a wide range of concentrations. Assessment of intracellular ROS production was carried out using a 2,7-dichlorodihydrofluoresceindiacetate (DCFDA) fluorescent probe. Intracellular ROS production was induced using two common prooxidants (tert-butyl hydroperoxide, Fe 2+ ions). We suggested an ontology-based model for the antioxidant and cytoprotective activity of humic acids based on experimental data and numerical models. This model establishes the way to further research on the biological effects of humic acids and provides a useful tool for numerical simulation of these effects. Remarkable antioxidant and cell protective activity of humic acids makes them a promising natural source of new pharmaceutical substances that feature a wide range of biological effects.
Databáze: MEDLINE
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