DANIEL DUDA SEIMAN, ALEXANDRA BATALU, CORINA DUDA SEIMAN, MIHAELA CIOPEC, ANA MARIA UDREA, MARILENA MOTOC, ADINA NEGREA, SPERANTA AVRAM PHARMACOLOGICAL EFFECTS OF NATURAL COMPOUNDS EXTRACTED FROM URTICA DIOICA EVALUATED BY IN SILICO AND EXPERIMENTAL METHODS Urtica dioica is a perennial plant of the family of Urticaceae, originating in Eurasia. Nettle lives in temperate regions, prefers shady places, moist soil and rich in nutrients. Worldwide nettle is considered weed. Nettle was used in the past for its medicinal properties on the body and to cure diseases such as arthritis, rheumatism, urinary tract infections, kidney stones, gingivitis, hair loss, or ulcer. It is a plant rich in nutrients, with a high content of minerals and vitamins, especially vitamin A and C. The nettle has uses in both pharmaceutical and cosmetic and nutrition processes. Nettle extract contains ursolic acid and quercetin, giving the plant antioxidant and anti-aging effects. Studies on the nettle have demonstrated a multitude of pharmacological uses including: pharmacological, antiviral, antibacterial, hepato-protective, hypotensive, diuretic and anti-inflammatory effects. The methods of extraction of the compounds used in the plant were maceration and distillation using ethanol-water-soluble solvent, used because of its extraction capacity. At the same time, the metals in the nettle were determined taking 2 samples of the root, the stalk and the nettle leaves, but also the soil from which the plant grew and were analyzed by Spectroscopy Elemental Isotope Analysis using an X-ray Fluorescence (XRF) analyzer. By cheminformatics and bioinformatics tools we elucidate for first time: (i) the drug like features and bioavailability of ursolic acid and quercetin (ii) by predictive ADMET a set of pharmacokinetic features like: absorption, distribution, metabolized, blood brain barrier and nervous system barrier crossed and toxicology features (AMES, carcinogens, hepatotoxicity, Maximum tolerated dose (human)). Our results showed that quercetin is a good candidate as antioxidant and anti-aging effects.
Keywords: Nettle, extraction, metal absorption, bioinformatics, pharmacological profiles