TY - JOUR A2 - Dudai, Nativ AU - Mtewa, Andrew AU - Sesaazi, Duncan C. AU - Lampiao, Fanuel PY - 2020 DA - 2020/05/16 TI - Structural and In Silico Characterization of Small Molecules Isolated from Eichhornia crassipes SP - 1375639 VL - 2020 AB - Eichhornia crassipes has been reported to have various medicinal properties including anticancer activities. The plant was collected from the Shire river in Malawi, and two cytotoxic compounds, benzene-1,4-diol and nonanedioic acid, were isolated and characterized for the first time in the leaves and roots of the plant. 1H NMR, COSY, HSQC, HMBC, 13-C, and LCMS spectroscopic experimental techniques were used to identify the compounds in their pure forms. In silico experiments showed that both compounds do not have AMES toxicity and do not inhibit cytochrome P450 enzymes, but nonanedioic acid acts as a CYP2D6 substrate. This work showed that Eichhornia crassipes can be considered to have a role as a source of potential hits and leads to drug development that can be rationally optimized for drugs. SN - 1741-427X UR - https://doi.org/10.1155/2020/1375639 DO - 10.1155/2020/1375639 JF - Evidence-Based Complementary and Alternative Medicine PB - Hindawi KW - ER -