Insecticide | Docking score (S) ΔG (kcal/mol) | van der Waals | H-bond | Hydrophobic interactions (π-interactions) | RMSD | ||||
---|---|---|---|---|---|---|---|---|---|
Amino acid-ligand atom | Interaction | Distance (Ã…) | Amino acid-ligand atom | Interaction | Distance (Ã…) | ||||
Alpha-cypermethrin | − 9.35 | Arg 73, Arg 392, Asp 279, Glu 118, Gly 109, Gly 110, Gln 330 His 442, Leu 327, Leu 328, Lys 331, Phe 281 Ser 191, Trp 224, Tyr 428, Val 393 | Asp 279-Cl11 Leu 328-N15 | HBD HBA | 3.32 0.6 | – | – | – | 1.14 |
Lambda-cyhalothrin | − 10.01 | Arg 73, Arg 74, Asn 452, Ala 443, Gln 330, Glu 113, Gly 109, Gly 110, His 427, His 442, Leu 120, Leu 327, Leu 446, Met 432, Phe 281, Ser 191, Ser 447, Thr 112, Tyr 121, Tyr 428, Phe 281 | Glu 113-C16 Arg 73-F11 | HBD HBA | 2.90 2.90 | – | – | – | 2.03 |
Deltamethrin | − 8.72 | Arg 73, Glu 113, Glu 268, Gly 109, Gly 110, Gln 330, His 442, Leu 327, Leu 334, Lys 331, Phe 281, Ser 191, Tyr 428 | Ser 191-Br8 His 442-Br8 Arg 73-O1 | HBD HBD HBA | 3.46 3.62 2.95 | – | – | – | 2.21 |
Permethrin | − 7.44 | Arg 73, Gln 330, Glu 113, Glu 268 Gly 109, Leu 328, Leu 328, Lys 331, Phe 281, Thr 112 | Lys 331–O1 | HBA | 3.04 | Arg 73-6-ring | Pi-cation | 3.90 | 1.93 |