Table 1.
Amino acids that compose the microenvironment of the complex IL-1β/piperine and PPL analogues, obtained by molecular docking.
| Molecule | Amino Acids | |||
|---|---|---|---|---|
| Non-Polar | Positively Charged | Negatively Charged | Polar | |
| Piperine | Leu80, Leu134, Val32, Phe133, Pro131, Trp120 |
Lys77 | - | Thr137, Thr79 |
| 3a | Leu82, Leu26, Leu80, Leu134, Phe133, Val132 and Pro131 | Lys77 | Glu25 | Thr79 |
| 4a | Leu80,Leu82, Leu134,Val132, Phe133, Pro78 |
- | - | Thr79, Gln81, Tyr24 |
| 3b | Pro2, Pro87, Pro91 | Lys88, Lys92, Lys93, Lys94 | - | Asn89, Tyr90, |
| 3c | Leu80, Leu82, Leu134, Phe133, Pro78, Trp120, Val132, Pro131 |
Lys77 | Glu25 | Tyr24, Gln81 |
| 4c | Leu26, Val132, Phe133, Pro78, Leu134, Leu82 Pro131, Leu80, |
- | - | Gln81, Tyr24, Thr79 |
| PPL | Val132, Phe133, Gly135, Gly136, Trp120, Leu134, Leu80 |
Lys77 | Asp142 | Thr79, Thr137 |
| 9a | Leu80, Trp120, Gly136, Gly135, Phe133, Leu134 |
Lys77 | Asp142 | Thr79, Thr137 |
| 10 | Trp120, Leu80, Leu82, Val32, Leu134, Phe133 |
Lys77 | Glu25 | Tyr24, Gln81 |
| 9b | Leu82, Leu80, Phe133, Leu134, Trp120, Val132 |
Lys77 | Glu25, | Gln81, Tyr24 |