Drug-Receptor Interaction of Peptidic HIV-1 Protease: The Hydrophobic Effect-I
Table 8. SASA,SASAd, SASAr and ΔSASAdr of compounds of the second set.
| S.N. |
| SASA |
|
|
| Binding Site |
| Catalytic Site | ||||||||||
Val | Ile |
| Asp | Thr | Gly | |||||||||||||
| Substituent-R1 |
| Substituent-R2 |
| Substituent-R3 |
| SASAr = 17.28 | SASAr = 24.16 |
| SASAr = 20.69 | SASAr = 15.66 | SASAr = 0 | |||||||
| SASAH | SASAR1 |
| SASAH | SASAR2 |
| SASAH | SASAR3 |
| ΔSASAdr | ΔSASAdr |
| ΔSASAdr | ΔSASAdr | ΔSASAdr | ||||
| 19 |
| 210.51 |
| 185.85 | 24.66 |
| 210.51 | 0.00 |
| 210.51 | 0.00 |
| 7.38 | 0.50 |
| 3.97 | 9.00 | ----- |
| 20 |
| 218.59 |
| 189.74 | 28.85 |
| 218.59 | 8.08 |
| 218.59 | 0.00 |
| 11.57 | 4.69 |
| 8.16 | 13.19 | ----- |
| 21 |
| 242.44 |
| 206.84 | 35.60 |
| 242.44 | 0.00 |
| 235.54 | 6.90 |
| 18.32 | 11.44 |
| 14.91 | 19.94 | ----- |
| 22 |
| 226.19 |
| 186.15 | 40.04 |
| 226.19 | 0.00 |
| 226.19 | 0.00 |
| 22.76 | 15.88 |
| 19.35 | 24.38 | ----- |
| 23 |
| 225.17 |
| 185.73 | 39.44 |
| 225.17 | 0.00 |
| 225.17 | 0.00 |
| 22.16 | 15.28 |
| 18.75 | 23.78 | ----- |
| 24 |
| 228.42 |
| 187.43 | 40.99 |
| 228.42 | 0.00 |
| 228.42 | 0.00 |
| 23.71 | 16.83 |
| 20.30 | 25.33 | ----- |
| 25 |
| 218.71 |
| 188.66 | 30.05 |
| 218.71 | 0.00 |
| 218.71 | 0.00 |
| 12.77 | 5.89 |
| 9.36 | 14.39 | ----- |
| 26 |
| 218.47 |
| 187.88 | 30.59 |
| 218.47 | 0.00 |
| 218.47 | 0.00 |
| 13.31 | 6.43 |
| 9.90 | 14.93 | ----- |
| 27 |
| 228.16 |
| 185.70 | 42.46 |
| 228.16 | 0.00 |
| 228.16 | 0.00 |
| 25.18 | 18.30 |
| 21.77 | 26.80 | ----- |
| 28 |
| 188.58 |
| 188.10 | 0.48 |
| 188.58 | 0.00 |
| 188.58 | 0.00 |
| 16.80 | 23.68 |
| 20.21 | 15.18 | ----- |
| 29 |
| 217.28 |
| 216.73 | 0.55 |
| 217.28 | 0.00 |
| 217.28 | 0.00 |
| 16.73 | 23.61 |
| 20.14 | 15.11 | ----- |
| 30 |
| 199.57 |
| 188.06 | 11.51 |
| 199.57 | 0.00 |
| 199.57 | 0.00 |
| 5.77 | 12.65 |
| 9.18 | 4.15 | ----- |
| 31 |
| 234.50 |
| 185.74 | 48.76 |
| 234.50 | 0.00 |
| 234.50 | 0.00 |
| 31.48 | 24.60 |
| 28.07 | 33.10 | ----- |
| 32 |
| 227.80 |
| 182.87 | 44.93 |
| 227.80 | 0.00 |
| 227.80 | 0.00 |
| 27.65 | 20.77 |
| 24.24 | 29.27 | ----- |
| 33 |
| 210.34 |
| 185.86 | 24.48 |
| 210.34 | 0.00 |
| 210.34 | 0.00 |
| 7.20 | 0.32 |
| 3.79 | 8.82 | ----- |
| 34 |
| 233.55 |
| 189.57 | 43.98 |
| 233.55 | 0.00 |
| 233.55 | 0.00 |
| 26.70 | 19.82 |
| 23.29 | 28.32 | ----- |
| 35 |
| 226.76 |
| 187.28 | 39.48 |
| 226.76 | 0.00 |
| 226.76 | 0.00 |
| 22.20 | 15.32 |
| 18.79 | 23.82 | ----- |
|
| ||||||||||||||||||
