Table 1. Binding energy and specific interaction of CaCdr1p with Ger.
Compounds | Binding energy (kcal/mol) |
Protein ligands interaction | |
---|---|---|---|
Hydrophobic | H-bonds | ||
Geraniol | -8.8 | Thr1029, Ser1034, Trp1038, Leu1064, Ile1065 | Pro1061, Ser1062 |
Known Inhibitor | |||
Farnesol | -5.8 | Arg1071, Glu1086, Thr1093, Asn1096, Lys1100, Glu1141, Ala1144, Val1145 | — |