Evaluation of the genotoxicity and mutagenicity of isoeleutherin and eleutherin isolated from Eleutherine plicata herb. using bioassays and in silico approaches

Toxicity evaluation of Eleutherine plicata Herb. extracts and possible cell death mechanism

“…In another study, the result was similar, in which the dichloromethane fraction was more genotoxic than the ethanol extract [ 52 ]. This fact can be explained by the higher content of naphthoquinones in the fraction, which in addition to alkylating, can also stabilize the topoisomerase II-DNA complex, what is clarified under in silico studies by docking and molecular modeling [ 28 ].…”

“…Isoeleutherin, especially at the highest concentration, was responsible for a high level of DNA damage, as assessed by the comet assay. Another study using micronucleus assay, demonstrated relatively low genotoxic potential [ 28 ]. The comet assay assesses the rate of DNA damage before repair, while the micronucleus assesses the maintenance of damage after repair [ 53 ].…”

“…From the bulbs of E. plicata, the EEEp, FDMEp, and a pure substance were obtained and characterized in another study of our research group [ 25 , 28 ]. The extract was obtained by maceration, followed by fractionation under reflux, and the dichloromethane fraction was fractionated in an open column of silica gel, using solvents of increasing polarity (hexane, dichloromethane, ethyl acetate, methanol), thus obtaining four fractions: hexane (0.21 g), dichloromethane (0.65 g), ethyl acetate (1.10 g), methanolic (3.5 g).…”

“…The extract was obtained by maceration, followed by fractionation under reflux, and the dichloromethane fraction was fractionated in an open column of silica gel, using solvents of increasing polarity (hexane, dichloromethane, ethyl acetate, methanol), thus obtaining four fractions: hexane (0.21 g), dichloromethane (0.65 g), ethyl acetate (1.10 g), methanolic (3.5 g). The substance was identified by High Performance Liquid Chromatographic (HPLC) and Nuclear Magnetic Resonance (NMR; [ 28 ]). After preparing the plant extract, it was dissolved in 0.05 % dimethyl sulfoxide (DMSO; 506008; Sigma-Aldrich; Saint Louis, USA) for in vitro and in vivo experiments on the day of treatment.…”

“…The results of docking and MD simulations showed that the compounds were able to interact with the residues present in the enzyme binding site. Throughout the MD trajectories, the compounds showed molecular stability and the free energy results proved that the compounds formed a stable complex with topoisomerase II [ 28 ].…”