Drug-Receptor Interaction of Peptidic HIV-1 Protease: The Hydrophobic Effect-I
Table 6. logP, πd, πr,and Δπdr of compounds ofthe third set.
| S.N. |
| log P |
|
|
| Binding Site |
| Catalytic Site | ||||
Val | Ile |
| Asp | Thr | Gly | |||||||
| Substituent-X |
| πr = 1.41 | πr = 1.8 |
| πr = 0.08 | πr = 0.16 | πr = 0 | |||||
| log PH | πX |
| Δπdr | Δπdr |
| Δπdr | Δπdr | Δπdr | ||||
| 36 |
| 5.71 |
| 3.69 | 2.02 |
| 0.61 | 0.22 |
| 2.10 | 1.86 | ----- |
| 37 |
| 4.24 |
| 3.69 | 0.55 |
| 0.86 | 1.25 |
| 0.63 | 0.39 | ----- |
| 38 |
| 6.16 |
| 3.69 | 2.47 |
| 1.06 | 0.67 |
| 2.55 | 2.31 | ----- |
| 39 |
| 5.59 |
| 3.69 | 1.90 |
| 0.49 | 0.10 |
| 1.98 | 1.74 | ----- |
| 40 |
| 4.88 |
| 3.69 | 1.19 |
| 0.22 | 0.61 |
| 1.27 | 1.03 | ----- |
| 41 |
| 5.66 |
| 3.69 | 1.97 |
| 0.56 | 0.17 |
| 2.05 | 1.81 | ----- |
| 42 |
| 5.47 |
| 3.69 | 1.78 |
| 0.37 | 0.02 |
| 1.86 | 1.62 | ----- |
| 43 |
| 4.75 |
| 3.69 | 1.06 |
| 0.35 | 0.74 |
| 1.14 | 0.90 | ----- |
| 44 |
| 5.78 |
| 3.69 | 2.09 |
| 0.68 | 0.29 |
| 2.17 | 1.93 | ----- |
| 45 |
| 4.98 |
| 3.69 | 1.29 |
| 0.12 | 0.51 |
| 1.37 | 1.13 | ----- |
| 46 |
| 4.98 |
| 3.69 | 1.29 |
| 0.12 | 0.51 |
| 1.37 | 1.13 | ----- |
| 47 |
| 5.83 |
| 3.69 | 2.14 |
| 0.73 | 0.34 |
| 2.22 | 1.98 | ----- |
| 48 |
| 6.01 |
| 3.69 | 2.32 |
| 0.91 | 0.52 |
| 2.40 | 2.16 | ----- |
| 49 |
| 6.24 |
| 3.69 | 2.55 |
| 1.14 | 0.75 |
| 2.63 | 2.39 | ----- |
| 50 |
| 4.76 |
| 3.69 | 1.07 |
| 0.34 | 0.73 |
| 1.15 | 0.91 | ----- |
| 51 |
| 5.34 |
| 3.69 | 1.65 |
| 0.24 | 0.15 |
| 1.73 | 1.49 | ----- |
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