Table 3.
Interaction parameters of different ligands with γ-secretase.
| Ligands | Hydrogen bonding | Pi-Sigma | Pi-Pi | Pi-Alkyl | van der Waals’ interaction |
|---|---|---|---|---|---|
| 55E | – | – | Phe 6 | Phe 18 | Phe 7, Thr 10, Ile 127, Val 131, Val 134, Ile 135, Leu 138 |
| 6Z2 | – | – | Phe 411 | Ile 408 | Phe 21, Val 32, Leu 35, Val 36, Ile 83, Phe 86, Val 87, Thr 90, Met 93, Val 94, Ile 127, Val 131, Val 412 |
| BRW | – | Ala 426 | – | Val 82, Leu 423 | Lys 37, Thr 74, Leu 75, Gly 78, Val 379, Cys 419, Leu 422, Leu 425 |
| 6Z5 | Asn 2, *Phe 35, Arg 39 | – | Leu 3, Val 32, Trp 36, Arg 220, Leu 221 | Phe 37, Phe 38, Glu 40, Leu 319 | |
| F1B | Thr 10 | – | Phe 14 | Phe 6, Phe 7, phe 11, Ala 17, Phe 18, Phe 21, Ile 127, Val 131, Ile 135 | |
| GVP | – | Phe 411 | Val 36, Ala 39, Ile 408, Val 412 | Leu 35, Met 93, Val 94, Val 97, Ile 128, Val 131, Thr 393, Thr 407 | |
| IQ6 | – | – | Phe 14 | Phe 6, Phe 11, Ala 17, Phe 18, Ile 127, Val 131, Leu 680 | Thr 10, Gly 15, Ile 135 |
| X37 | *Thr 10, Phe 14 | Pro105 | Phe 2 | – | Phe 11, Ala 17, Phe 18, Val 32, Leu 35, Val 36, Ile 127, Phe 411 |
*Occurrence of two hydrogen bonds.