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. 2022 Jul 14;19(14):8588. doi: 10.3390/ijerph19148588

Table 6.

Binding energy results of dexamethasone and phytochemicals of Andrographis paniculata with NF-κB p50.

AP Phytochemical PubChem ID Binding Energy
(kcal/mol)
Dexamethasone * 5743 −5.4
ergosterol peroxide 5351516 −5.6
14-deoxy-14,15-dehydroandrographolide 5351516 −5.3
5-hydroxy-7,8-dimethoxyflavanone 13963770 −5.3
5-hydroxy-7,8-dimethoxyflavone 188316 −5.2
14-deoxy-11,12-didehydroandrographolide 5708351 −5.2
andrographolide 5318517 −5.2
stigmasterol 5280794 −5.1
β-sitosterol 222284 −5.0
19-O-acetyl-14-deoxy-11,12-didehydroandrographolide 46179874 −4.7

* Positive control.