Table 8 Docking results by SCP-2 from Culex quinquefasciatus
|  | Molecules | ΔG (kcal) | Interaction with amino acids |
|---|---|---|---|
1 | p-Anisaldehyde | − 5.72 | N23, R24, Q25, V26, L102, F105 |
2 | Canphor | − 5.86 | L16, Q25,V26 |
3 | 3-Carene | − 6.17 | I19, N23, R24, Q25, V26 |
4 | Carvacrol | − 6.88 | I19, R24, Q25, V26, L48, L102, F105 |
5 | Carveol | − 5.22 | R24, Q25, V26, L102, F105 |
6 | Carvomenthol | − 5.69 | I19, R24, Q25, V26, Q25 |
7 | (+)-Carvone | − 6.62 | R15, I19, D20, R24, N23, Q25, V26 |
8 | Carvotanacetol | − 5.32 | I19, R24, Q25, V26, Q25 |
9 | β-Caryophyllene | − 7.87 | R15, L16, I19, V26, L48, L102, F105 |
10 | Citronellal | − 4.16 | I19, D20, N23, R24, Q25, V26 |
11 | β-Citronellol | − 5.29 | I19, D20, N23, R24, Q25, V26, L48 |
12 | m-Cresol | − 6.26 | I19, R24*, Q25*, F105 |
13 | o-Cresol | − 6.11 | I19, R24, Q25, F105 |
14 | Cuminaldehyde | − 5.72 | N23, R24, Q25, V26, L48 |
15 | p-Cymene | − 5.28 | D20, N23, R24, Q25, V26 |
16 | t-Dihydrocarvone | − 5.97 | R15*, I19, D20, R24, N23, Q25, V26, F105 |
17 | 3,4-Dimethylcumene | − 5.22 | D20, N23, R24, Q25, V26 |
18 | Eucalyptol | − 5.03 | R15, L16, L102 |
19 | Geranial | − 5.96 | I19, D20, N23, R24, Q25, V26 |
20 | Geraniol | − 5.96 | I19, D20, N23, R24, Q25, V26, L48, L102, F105 |
21 | Germacrene-D | − 7.65 | R15, L16, I19, V26, L48, L102, F105 |
22 | α-Humulene | − 7.87 | R15, L16, I19, V26, L48, L102 |
23 | Hydrocarvone | − 5.72 | I19, D20, R24, N23, Q25, V26 |
24 | Hydrodihydrocarvone | − 5.81 | R15, I19, D20, R24, N23, Q25, V26 |
25 | 3-Isopropylphenol | − 5.22 | D20, N23, R24, Q25, V26 |
26 | Isoborneol | − 5.21 | R15, L16, L102 |
27 | Isopulegol | − 6.26 | I19, D20, R24, N23, Q25, V26, L48, L102 |
28 | t-Isopulegone | − 6.44 | R15*, I19, D20, R24, N23, Q25, V26, L48 |
29 | Lavandullol | − 4.72 | D20, N23, R24, Q25 |
30 | Limonene | − 5.81 | I19, N23, R24, Q25, V26, L48, L102 |
31 | Linalool | − 5.76 | I19, D20, N23, R24, Q25, V26 |
32 | Menthol | − 5.69 | I19, R24, Q25, V26, Q25 |
33 | Menthone | − 5.51 | R15, I19, R24, N23, Q25, V26 |
34 | Myrcene | − 6.05 | I19, N23, R24, Q25, L102, F105 |
35 | Neoisopulegol | − 6.34 | I19, N23, R24, Q25, V26 |
36 | (− )-Perillaldehyde | − 5.95 | R15, L16, I19, N23, R24, Q25, V26 |
37 | Phellandrene | − 5.1 | D20, N23, R24, Q25, V26 |
38 | α-Pinene | − 5.85 | R15, I19, N23, R24, Q25, V26, L48 |
39 | β-Pinene | − 5.96 | R15, I19, N23, R24, Q25, V26, L48 |
40 | (+)-Pulegone | − 6.51 | R15, I19, N23, R24, Q25, V26 |
41 | Rotundifolone | − 6.33 | I19, R24, Q25, V26, L48 |
42 | Sabinene | − 5.5 | I19, N23, R24,Q25, V26 |
43 | α-Terpinene | − 6.76 | I19, N23, R24, V26, L48 |
44 | γ-Terpinene | − 6.85 | I19, N23, R24, Q25, V26, L48 |
45 | 4-Terpineol | − 5.77 | R15, I19, R24, V26, L102 |
46 | α-Terpineol | − 5.46 | I19, R24, V26, L102 |
47 | β-Terpineol | − 5.13 | I19, D20, R24, N23, Q25, V26 |
48 | γ-Terpineol | − 5.14 | I19, D20, R24, N23, Q25, V26 |
49 | Terpinolene | − 6.01 | I19, R24, V26, L48, L102, F105 |
50 | Thymol | − 6.66 | I19, D20, N23, R24, Q25, V26, L48 |