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. 2020 Nov 25;21:81. doi: 10.1186/s40360-020-00458-7

Table 2.

Molecular docking of continentalic acid with various protein targets

Proteins PDB ID Amino Acid Binding energies (kcal\mol)
Keap 1 4iqk VAL465 −9.0
Nrf2 2flu PHE93 −8.4
P65 1vkx ALA497 −7.2
HO-1 1ubb HIS25 −6.5
TNF-α 2az5 TYR59 −8.2
IL-1β 1itb GLU202 −6.5
IL-6 1p9m THR130 −6.5
COX-2 5iqk PRO543 −7.5