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The paper focuses on the assessment of the spectrum of biological activities (antineoplastic, anti-inflammatory, antifungal, and antibacterial) with PASS (Prediction of Activity Spectra for Substances) for the major components of three macrophytes widespread in the Holarctic species of freshwater, emergent macrophyte with floating leaves, Nuphar lutea (L.) Sm., and two species of submergent macrophyte groups, Ceratophyllum demersum L. and Potamogeton obtusifolius (Mert. et Koch), for the discovery of their ecological and pharmacological potential. The predicted probability of anti-inflammatory or antineoplastic activities above 0.8 was observed for twenty compounds. The same compounds were also characterized by high probability of antifungal and antibacterial activity. Six metabolites, namely, hexanal, pentadecanal, tetradecanoic acid, dibutyl phthalate, hexadecanoic acid, and manool, were a part of the major components of all three studied plants, indicating their high ecological significance and a certain universalism in their use by various species of water plants for the implementation of ecological and biochemical functions. This report underlines the role of identified compounds not only as important components in regulation of biochemical and metabolic pathways and processes in aquatic ecological systems, but also as potential pharmacological agents in the fight against different diseases.

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For the first time, the component composition of the low-molecular-weight metabolome of perfoliate pondweed (Potamogeton perfoliatus L., family Potamogetonaceae), which grows in the Astrakhan region (lower zone of the Volga river delta), has been investigated. Low molecular weight organic compounds (LMWOCs) in the composition of essential oil were obtained from dried plants by steam hydrodistillation using the Clevenger apparatus. The qualitative and quantitative compositions of the LMWOCs were investigated using gas chromatography-mass spectrometry (GC/MS complex TRACE ISQ (Thermo Scientific) with a quadrupole mass analyzer). The low molecular weight metabolome of P. perfoliatus contained 164 components, of which 151 were identified. Major LMWOCs were carboxylic acids – tetradecanoic (69.7%) and hexadecanoic (10.1%), as well as phytol (3.4%) and phyton (1.4%), characterized by diverse biological activities. The antioxidant activity of an aqueous-alcoholic extract of P. perfoliatus was investigated by a photometric method based on the reaction of DPPH (2,2-diphenyl-1-picrylhydrazyl) dissolved in ethanol with an antioxidant sample. It has been shown that P. perfoliatus extract has more pronounced antioxidant properties than the tested drugs (ascorbic acid and emoxipine). P. perfoliatus from the lower zone of the Volga River delta can be considered as a naturally renewable resource for obtaining raw materials for creating effective composites of new generation algicides to combat cyanobacterial "bloom", as well as for obtaining valuable natural forms of LMWOCs of plant origin for various types of application in pharmacology, medicine, cosmetology, food industry, and other industries.