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

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

LigandsBinding affinityHydrogen bondHydrophobic interaction
Amino acidBond distance (Å)
1− 7.5TYR1643.40384TYR89, LYS139, VAL183
3− 7.5ARG137, ARG137, LYS1392.36455, 2.46429, 3.61889TYR89
4− 7.9ARG137, ARG137, TYR1642.77808, 2.62344, 3.57359LYS139, VAL183
5− 8.2ALA88, GLN1192.29854, 2.63975VAL83, ALA87, PRO95, PRO100
6− 7.9ARG137, ARG137, SER122, TYR1642.89161, 2.67782, 3.65143, 3.56844VAL183, LYS139, VAL183, TRP53, TYR164, TYR89, TYR185
7− 7.5SER1663.67404LYS139, VAL183, TYR164, TYR89
13− 8.4ARG1372.60716TYR89, TYR89, ASN90, VAL183, TRP53, TYR89, TYR185