Untangling the mechanism and potential of Chrysopogon zizanioides as a phytoremediant, responsible for removing heavy metals from surrounding media: in silico insights.

Advancements in human activities lead to the widespread release of heavy metals into the environment. Zinc, iron, and nickel are heavy metals (HMs) that are teratogenic, carcinogenic, mutagenic, and endocrine disruptors when present at elevated concentrations. A greenhouse study was conducted in a hydroponic setup to investigate the phytoremediation potential of Chrysopogon zizanioides for the removal of zinc, iron, and nickel from aqueous media. The Vetiver grass was exposed to different concentrations of HMs for 15 days, and the samples were collected on the 3rd, 6th, 9th, 12th, and 15th days. The HM accumulation along with the biochemical variation was analysed to assess the plant stress and tolerance. The Vetiver grass shows an average absorption percentage of 52.91% for iron, 38.47% for nickel, and 45.16% for zinc. The biochemical analysis reveals increased phenol and proline content along with decreased carbohydrate, cellulose, and chlorophyll content. The Metal-ion binding site prediction (MIB) docking provides valuable insight into metal-ion-protein interactions. Analysing these interactions through docking contributes to metal homeostasis, transport, and detoxification of heavy metals, offering potential application in phytoremediation. As per the detailed Scopus survey, this is a ground-breaking work documenting metal-plant protein docking during phytoremediation that contributes to advancing sustainable environment strategies. This study advocates for the natural purification of water devoid of chemical interference. Subsequent genetic and agronomic advancements will undoubtedly augment the efficiency of Vetiver grass, particularly in the presence of elevated concentrations.