Fig. 12 | Scientific Reports

Fig. 12

From: Computational drug discovery of phytochemical alkaloids targeting the NACHT/PYD domain in the NLRP3 inflammasome

Fig. 12

BOILED-Egg diagram for all the selected compounds. The compounds that are grouped closely in the blood-brain region, exhibiting a TPSA between 20 to 70 and a WLOGP value between 1 to 4.

Molecule 1: Oxyacanthine.

Molecule 2: Neferine.

Molecule 3: Magnoflorine.

Molecule 4: Corynoline.

Molecule 5: Columbamine.

Molecule 6: Berberine.

Molecule 7: Berbamine.

Molecule 8: Palmatine.

Molecule 9: Tranilast (Positive Control).

Molecule 10: Oridonin (Positive control).

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