Heavy metal (PB) bioaccumulation study in Eisenia fetida and in the larvae of Anopheles gambiae complex using in silico drug docking protocols

Abstract

Heavy metal bioaccumulation is the process by which the application of Eisenia fetida earthworm species in bioremediation of contaminated soil results in a decrease in the concentration of heavy metals. However, it negatively impacts earthworms and hence detrimental to agriculture. On the other hand, in adult mosquitoes, exposure to metal pollution during the larval stage significantly impacted their subsequent insecticide tolerance. The current in silico study, we carry out a comparative study on the effect of Heavy metal (PbSO4) bioaccumulation in Eisenia fetida and in the larvae of Anopheles gambiae complex. Metallothionein protein is selected as a common biomarker for the expression of metal accumulation in both species. In order to observe the accumulation of Lead II sulphate in the Metallothionein protein of Eisenia fetida and in the mosquito larvae, this study's methodology entails molecular drug docking and H-bond interaction studies using sophisticated automated drug docking servers. The findings unequivocally demonstrate that amino acid residues found in Eisenia fetida and in the larvae of the An. gambiae complex bind with different heavy metals, most notably Lead II sulphate. Our findings also line up with the previously validated wet lab findings. Finally, it was determined that Lead II sulphate directly binds to Metallothionein amino acid positions of both species. Based on the expression of Metallothionein protein, these results have demonstrated that Eisenia fetida and the larvae of the An. gambiae complex are capable of accumulating Lead II sulphate in their body. The accumulation of metals in a specific species of earthworm and mosquito larvae, which has detrimental effects on the species' biological systems at high concentrations, is clearly described throughout this entire In silico study.