QSAR, molecular docking, and design of novel 4-(N,N-diarylmethyl amines) Furan-2(5H)-one derivatives as insecticides against Aphis craccivora

Bulletin of the National Research Centre

Table 9 Ligands, binding affinity, H-bond, and hydrophobic interaction between high binding score compounds and receptor

Ligands	Binding affinity	Hydrogen bond		Hydrophobic interaction
Ligands	Binding affinity	Amino acid	Bond distance (Å)	Hydrophobic interaction
1	− 7.5	TYR164	3.40384	TYR89, LYS139, VAL183
3	− 7.5	ARG137, ARG137, LYS139	2.36455, 2.46429, 3.61889	TYR89
4	− 7.9	ARG137, ARG137, TYR164	2.77808, 2.62344, 3.57359	LYS139, VAL183
5	− 8.2	ALA88, GLN119	2.29854, 2.63975	VAL83, ALA87, PRO95, PRO100
6	− 7.9	ARG137, ARG137, SER122, TYR164	2.89161, 2.67782, 3.65143, 3.56844	VAL183, LYS139, VAL183, TRP53, TYR164, TYR89, TYR185
7	− 7.5	SER166	3.67404	LYS139, VAL183, TYR164, TYR89
13	− 8.4	ARG137	2.60716	TYR89, TYR89, ASN90, VAL183, TRP53, TYR89, TYR185