Exploring the Mechanism of Ling-Gui-Zhu-Gan Decoction in Ventricular Remodeling after Acute Myocardial Infarction Based on UPLC and In Vivo Experiments

Table 2

Docking results of main components of LGZGD with NLRP3.

Chemicals	Vina score	Cavity score	Center (x, y, z)	Size (x, y, z)
MCC950	−10.4	12730	88, 94, 81	35, 34, 35
Liquiritin	−9.4	12730	88, 94, 81	35, 34, 35
Atractylenolide III	−8.9	12730	88, 94, 81	35, 34, 35
Isoliquiritin	−8.2	12730	88, 94, 81	35, 34, 35
Glycyrrhizic acid	−6.5	12730	88, 94, 81	35, 29, 35
Coumarin	−6.5	12730	88, 94, 81	35, 34, 35
Cinnamic acid	−5.9	12730	88, 94, 81	35, 34, 35
Cinnamic alcohol	−5.7	12730	88, 94, 81	35, 34, 35
Cinnamaldehyde	−5.7	12730	88, 94, 81	35, 34, 35

Bold represents the top three compounds’ Vina scores.