Table 3 The results of molecular docking.
Compound | Target | PDB | Libdock score |
|---|---|---|---|
Isobrucine | PTGS2 | 1CVU | 98.8636 |
Isobrucine | JUN | 1JNM | 94.6501 |
Isobrucine | 1L1B | 1L1B | 45.0814 |
Isobrucine | TP53 | 1GZH | 96.5837 |
Isobrucine | VEGFA | 1BJ1 | 78.9212 |
Isobrucine | IL6 | 1ALU | 76.32 |
Stigmasterol | PTGS2 | 1CVU | 94.8413 |
Stigmasterol | JUN | 1JNM | 120.188 |
Stigmasterol | 1L1B | 1L1B | 75.3339 |
Stigmasterol | TP53 | 1GZH | 93.1243 |
Stigmasterol | VEGFA | 1BJ1 | 99.6812 |
Stigmasterol | IL6 | 1ALU | 75.46 |
(+)-Catechin | PTGS2 | 1CVU | 71.8213 |
(+)-Catechin | JUN | 1JNM | 118.438 |
(+)-Catechin | 1L1B | 1L1B | 80.9937 |
(+)-Catechin | TP53 | 1GZH | 93.9245 |
(+)-Catechin | VEGFA | 1BJ1 | 91.2969 |
(+)-Catechin | IL6 | 1ALU | 83.85 |
Brucine | PTGS2 | 1CVU | 78.9863 |
Brucine | JUN | 1JNM | 113.797 |
Brucine | 1L1B | 1L1B | 92.7554 |
Brucine | TP53 | 1GZH | 92.145 |
Brucine | VEGFA | 1BJ1 | 94.2969 |
Brucine | IL6 | 1ALU | 78.1123 |
