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

Table 4

Docking results of main components of LGZGD with GSDMD.

Chemicals	Vina score	Cavity score	Center (x, y, z)	Size (x, y, z)
LDC7559	−7.5	868	30, −83, 41	24, 24, 24
Isoliquiritin	−7.0	868	30, −83, 41	27, 27, 27
Glycyrrhizic acid	−6.7	868	30, −83, 41	29, 29, 29
Liquiritin	−5.7	868	30, −83, 41	24, 24, 24
Atractylenolide III	−5.4	868	30, −83, 41	19, 19, 25
Coumarin	−5.3	868	30, −83, 41	17, 17, 25
Cinnamic acid	−4.8	868	30, −83, 41	18, 18, 25
Cinnamic alcohol	−4.6	868	30, −83, 41	18, 18, 25
Cinnamaldehyde	−4.4	868	30, −83, 41	18, 18, 25

Bold represents the top three compounds’ Vina scores.