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Table 9 The binding energy, H-bonds, H-bond distances, hydrophobic and electrostatic interactions of receptor, and the ligands with the highest docking scores

From: QSAR and molecular docking studies of novel 2,5-distributed-1,3,4-thiadiazole derivatives containing 5-phenyl-2-furan as fungicides against Phythophthora infestans

LigandsBinding energy (kcal/mol)H-bondsH-bond distancesHydrophobic interactionsElectrostatic interactions
11− 9.1GLU88, GLN672.86658, 2.77632TYR87, TYR71, LEU52, TYR87, ALA69ASP56, GLU88
13− 9.3GLU88, GLN672.78089, 2.91512TYR87, TYR71, LEU52, TYR87, ALA69ASP56, GLU88
14− 8.9GLN67, GLN672.58747,2.377TYR87, TYR71, TYR71, ALA69, LEU52ASP56, GLU88, GLU88
15− 8.9GLN67, GLN672.74137,2.57359TYR87, TYR71, ALA69, LEU52ASP56, GLU88
17− 8.9GLN67, GLU88, GLN673.0818,3.03569, 2.74824TYR87, TYR71, LEU52, TYR87 ALA69ASP56, GLU88
24− 8.9GLN67, GLY68, GLN672.52375,2.5966, 2.29024TYR87, ALA69 LEU52ASP56, GLU88 GLU88
26− 9.0ASN722.22541TYR87, TYR71, LEU52, TYR87, ALA69, LEU52ASP56, GLU88
30− 9.0ASN722.49659TYR87, TYR71, LEU52, TYR87, ALA69, LEU52ASP56, GLU88 GLU88