Table 4. The docking parameters used for bioinformatics analysis.
Identified protein's | Ligands with highest docked score | Global energy | Attractive Van der Wall force | Repulsive Van der Wall force | Atomic contact energy (ACE) |
Acetylcholinesterase (Pdbid: 3LII) | Parathion | -37.90 | -15.66 | 2.83 | -10.50 |
Cytochrome protein P450 (Pdbid: 3NXU) | Phosmet | -45.21 | -14.83 | 2.32 | -15.72 |
Gutathione S-transferase (Pdbid: 4GTU) | Azinphosmethyl | -39.60 | -15.23 | 3.46 | -13.37 |
Protein kinase C (Pdbid: 2XJ1) | Azinphosmethyl | -36.57 | -13.71 | 1.49 | -11.03 |
Anti-chymotrypsin (Pdbid: 1YXA) | Quinalphos | -30.15 | -14.07 | 0.77 | -7.62 |
The highest interaction energy of all five proteins like acetylcholinesterase, cytochrome protein P450, gutathione S-transferase, protein kinase C and α-1-antichymotrypsin in H. sapiens with the top five different organophosphorous pesticides like parathion, phosmet, azinphosmethyl and quinalphos respectively that show the highest interaction with each other.