Table 5.
Core Targets | PDB ID a | Compounds | Affinity (kcal/mol) |
---|---|---|---|
TNF | 2E7A | Quercetin | −6.807 |
Kaempferol | −6.581 | ||
AKT1 | 1UNQ | Quercetin | −7.517 |
Kaempferol | −7.351 | ||
Isorhamnetin | −7.456 | ||
IL6 | 1ALU | Quercetin | −7.495 |
VEGFA | 1MKK | Quercetin | −7.804 |
IL1B | 5R8Q | Quercetin | −7.277 |
HIF1A | 4H6J | Quercetin | −7.090 |
SERPINE1 | 1LJ5 | Quercetin | −7.512 |
Folsaeure (FA) | −8.197 | ||
CRP | 3PVN | Quercetin | −7.399 |
CXCL8 | 4XDX | Quercetin | −7.367 |
IFNG | 1FYH | Quercetin | −7.295 |
NOS2 | 3E7G | Formononetin | −7.922 |
Kumatakenin | −8.035 | ||
Isorhamnetin | −7.665 | ||
Calycosin | −8.134 | ||
Kaempferol | −7.604 | ||
3,9-di-O-methylnissolin | −8.069 | ||
7-O-methylisomucronulatol | −8.097 | ||
Methylnissolin | −7.966 | ||
NOS3 | 4D1P | Formononetin | −7.696 |
Quercetin | −7.719 | ||
Isorhamnetin | −7.964 | ||
Kaempferol | −7.461 | ||
3,9-di-O-methylnissolin | −7.877 | ||
7-O-methylisomucronulatol | −8.235 | ||
Folsaeure (FA) | −9.103 | ||
HMOX1 | 1N45 | Quercetin | −7.604 |
Isorhamnetin | −7.509 | ||
Kaempferol | −7.319 | ||
ESR1 | 7NFB | Formononetin | −6.988 |
Isorhamnetin | −7.148 | ||
Calycosin | −8.170 | ||
Kaempferol | −7.187 | ||
3,9-di-O-methylnissolin | −7.308 | ||
7-O-methylisomucronulatol | −7.375 | ||
Methylnissolin | −6.975 |
a PDB ID: The ID assigned to the protein by the PDB database.