Abstract
Objective: Though the adverse effects of pesticides used in agriculture may not immediately be visible in the human population however its long term exposure may cause detrimental effects by biomagnifications and bioaccumulation. Nowadays bioinformatics serves as an in silico tool not only for homology alignment but also for prediction of quaternary structures of biochemicals. The present study was aimed to compare the potential toxicities of triazophos and chlorpyrifos (organophosphates; OPs) and cypermethrin and deltamethrin (pyrethroids) and their interactions with cytochrome P450 functioning. Methods: The authors performed the BLAST for homology alignment for cytochrome P450 of human and Zebra fish and further proceeded for docking analysis of all the pesticides with cytochrome P450. Results: It was noted that 99% of query cover with 32% of homology in the sequences of cytochrome P450 between human and Zebra fish. Upon docking, the pesticide deltamethrin showed the highest interaction with cytochrome P450 with highest binding energy and least dissociation constant for Deltamethrin which was found to be 8.233 [kcal/mol] and 922849.687 [pM].Conclusion: Our preliminary results thus encompass/indicate that the deltamethrin is not only having detrimental effect on enzyme kinetics in general but also such similar effects be apprehended for human also.
Highlights
Synthetic pesticides of any origin can exert varied effects on different target as well as non-target organisms which further may affect humans by biomagnification [1]
We found 99% query cover with 32% identity showing homology between human and zebra fish upon Basic Local Alignment Search Tool (BLAST)
Molecular docking result showed that pesticide, deltamethrin exerted the best interaction with cytochrome P450
Summary
Synthetic pesticides of any origin can exert varied effects on different target as well as non-target organisms which further may affect humans by biomagnification [1]. The pyrethroids (like deltamethrin and cypermethrin) can exert a similar effect by altering the voltage gated Na+ion channels present on neurolemma [3]. Under both acute and chronic exposures, these pesticides are harmful and toxic to the aquatic biota fishes [4] and further the human population as well due to the inability of detoxification of these pesticides [1]. The main detoxifying enzyme which is present in almost all cells ubiquitously as well as evolutionarily conserved one is cytochrome P450 (CYP) family proteins which use Haem as a cofactor for their functions [5]. There are few reports, delineating the interactions of chlorpyrifos with cytochrome P450 in human, rat and mouse [8] but, till date reports are lacking in the field of homology alignment of cytochrome P450 in human and fishes and further the comparative interactions of cytochrome P450 with different pesticides
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