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Table 3 Molecular docking score of seven high-peak compounds of HH with NF-κB, NLRP3, ASC, and Caspase-1

From: Huanglian-Hongqu herb pair improves nonalcoholic fatty liver disease via NF-κB/NLRP3 pathway in mice: network pharmacology, molecular docking and experimental validation

Compounds

Binding Energy (kcal/mol)

NF-κB NLRP3 ASC Caspase-1

Dulcitol

-5.50

-4.80

-4.40

-3.0

Coptisine

-8.90

-7.10

-8.50

-6.0

Berberine

-9.70

-7.80

-7.50

-5.20

Epiberberine

-8.60

-6.90

-7.10

-5.40

Palmatine

-8.70

-6.70

-6.80

-4.90

Lovastatin

-7.10

-5.70

-6.70

-5.10

Quercetin

-8.80

-7.40

-7.30

-5.40