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. 2011 Sep;25(5):335–347. doi: 10.1016/S1674-8301(11)60045-6

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.