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ISSN 2063-5346
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ANTIOXIDANT TEST AND IN-SILICO TOXICITY ANALYSIS OF INDICATED COMPOUNDS FROM THE ETHANOL EXTRACT OF PURPLE EGGPLANT (SOLANUM MELONGENA L) SKIN THROUGH USING THE LC-MS/MS METHOD

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Muhammad Irfan, Ali Napiah Nasution, Evelyn Angie, Chairul Radjab Nasution, Yensuari, Anita Rosari
» doi: 10.31838/ecb/2023.12.5.478

Abstract

Eggplant, which is known by the scientific name Solanum melongena L. is a popular vegetabel commodity that is liked by many people because of its delicious taste and high nutritional content, so it has the potential to be cultivated. It is necessary to carry out further research to prove the efficacy of its content by conducting phytopharmaceutical testing and ADMET testing (Absorption, distribution, metabolism, excretion, and toxicity) of the compounds contained in eggplant skin using the Lc-ms/ms method, by comparing pKCSM, SwissAdme, and Protox-II with the ChemDraw software application. The results of phytochemical screening of eggplant peel ethanol extract (EEKT) found the presence of flavonoid compounds, alkaloids, saponins, tannins, and glycosides, but steroids/triterpenoids were not found. The LC-MS/MS examination on EEKT found the presence of flavonoid compounds; luteolin 5-O-glucoside, rutin, gardenin B, rosmarinic acid, ursolic acid, cosmosiin, eugenol, apigenin, ocimarin, xanthomicrol, salvigenin, but no compound kaemperol 3-O- maonylglucoside was found. The prediction results of ADMET for pulsed pk-CSM, SwissAdme, and Protox-II compounds, found relatively the same results, among others in absorption, the assessment of the molecular weight of the compounds was significantly the same, based on the results of the analysis concluded that the average molecular weight of flavonoid compounds in EEKT is below 500 g/mol, then the compound is categorized as easily absorbed, this can be supported by tests of water solubility, caco2 permeability, intestinal absorption human. P- glycoprotein is a biological barrier that can remove toxins and xenobiotics from cells, the flavonoid compounds in EEKT do not function as a biological barrier and even function as an inhibitor of the creation of toxins in the body. In distribution assessment, EEKT flavonoid compounds tend to be normally distributed, this can be concluded from the assessment of VDss, fraction unbound, BBB permeability, and CNS permeability. Substances that become substrates indicate that these compounds can be metabolized by CYP 450 which is an important detoxifying enzyme in the body, while compounds that can act as inhibitors can suppress their metabolic activity. All EEKT flavonoid compounds were not affected by metabolism in the presence of CYP2D6 and could not act as inhibitors for CYP2D6. Excretion assessment, namely by measuring total clearance and renal OCT2 substrate levels, EEKT flavonoid compounds tend not to burden the kidneys or be toxic to the kidneys. In the assessment of toxicity, through testing Ames toxicity, Max tolerated dose of human, hERG I/II, LD50, the flavonoid compounds in EEKT tend to be non-toxic.

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