Comparative study on the effect of the insecticide, Phorate on the COI (Cytochrome oxidase subunit 1) of Eudrilus eugeniae and Aedes aegypti using in silico techniques

Abstract

The most crucial element of the global plan for managing diseases linked to mosquitoes is vector control, of which insecticide treatment is a crucial component. Insecticides affect an insect's nervous system, reproduction, or immune system. On the other hand, insecticides have a detrimental effect on soil microbial activity and counts, which is concerning for the environment. It also affects various other organisms such as earthworms present in the soil it. In this in silico research study, we carry out a comparative study on the effect of the insecticide, Phorate on the earthworm sps, Eudrilus eugeniae and on the mosquito, Aedes aegypti. Eudrilus eugeniae is native to tropical West Africa and is currently common in warm climates where it is grown in vermicompost. Many diseases like dengue, dengue hemorrhagic fever, dengue shock syndrome, yellow fever, chikungunya, and Zika virus infection are mostly spread by the mosquito Aedes aegypti. Primarily, we investigate the mechanism by which Phorate affects the earthworms in the soil and the mosquito. The protein sequence of Cytochrome oxidase, present in the extracellular region of Eudrilus eugeniae and Aedes aegypti, is introduced to Phorate using advanced automated molecular drug docking techniques. The results are validated in 3D view using advanced molecular visualization tools. The results obtained from our study shows that the 3D structure of Cytochrome oxidase subunit 1 binds with Phorate in the hydrophobic regions. Based on the binding affinity scores and 3D H-bond interactions between Cytochrome oxidase subunit 1 and Phorate, the level of inhibition between the protein and the receptor is analysed. The overall results conclude that the accumulation of Phorate in the soil leads to its binding with the extracellular region of the earthworm, Eudrilus eugeniae bringing about the degeneration of the species which is detrimental to soil fertility, whereas the effect of Phorate on Aedes aegypti is beneficial in controlling the species for the benefit of mankind.