Table 3.
Ligands, binding affinity, H-bond and hydrophobic interaction between high binding score compounds and receptor.
| Serial No. | Binding Affinity (kj/mol) | H-bond | H-bond length(Å) | Hydrophobic |
|---|---|---|---|---|
| 8 | -7.9 | ARG184,ARG184, ASN164 |
2.57507,2.38318 2.45404 |
PHE139,ILE99, LEU101 |
| 13 | -7.7 | TRP103,ARG184 | 2.45454,2.92843 | PHE139,GLN100, LEU101,ILE99, LEU101 |
| 14 | -7.9 | TRP103,ARG184 | 2.48547,2.4859 | PHE139,ILE99, LEU101 |
| 19 | -7.7 | GLN60,TRP103, GLN180,GLU70 |
1.98605,2.58846, 2.66202,2.91443 |
PHE139,ILE99, ILE163 |
| 20 | -8.5 | SER102,ASN106, ARG184,GLN100, ASN164 |
1.88667,2.25994, 2.17112,3.01763, 1.99096 |
PHE139,ALA61, ALA61,ILE99 |
| 21 | -8.0 | GLN60,ASN106, ARG184,ARG184, ALA61,SER102, TRP103 |
2.66766,2.48774, 2.50626,2.95531, 2.13549,3.4367, 3.39742 |
PHE139,ALA61 |
| 22 | -8.4 | SER102,ASN106, ASN106,GLY165, GLY166,ARG184, ILE163,TRP103 |
2.17222,2.46585, 2.24396,2.47314, 2.69741,2.94555, 2.33241,2.18921 |
PHE139,LEU167, LEU167 |
| 29 | -8.4 | SER102,ASN106, ASN106,GLY165, GLY166,ILE163, TRP103,ILE163 |
2.11772,2.45099, 2.28368,2.44586, 2.60183,2.44328, 3.51076,3.48038 |
PHE139,LEU167, LEU167 |
| Chlorothalonil | -6.1 | ASN106,ASN106 ARG184 |
2.74625,2.98094 2.1097 |
ILE163,LEU167 TYR77,TRP103 |