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. 2022 Jul 9;2022:1323744. doi: 10.1155/2022/1323744

Table 3.

Molecular docking parameters and results of key ingredients binding to hub targets.

Key ingredients Target Vina score Cavity size Center Size
x y z x y z
Inline graphicQuercetin PTGS2 −9.4 4392 13.702 49.228 64.724 21 30 29
TNF −8.9 10384 29.389 −21.424 41.646 35 35 35
IL6 −9.1 2422 −28.73 32.674 41.7 27 21 21
JUN −8 1710 −2.548 −5.371 20.862 21 21 32
IL1B −6.9 145 −15.895 9.344 −14.260 21 21 21
CCL2 −7.3 195 −3.977 −17.987 4.759 21 21 21
IFNG −7 932 7.332 35.436 22.884 31 21 35
IL4 −6.9 70 9.769 34.813 −0.368 21 21 21
IL10 −6.6 73 13.752 61.149 41.144 21 21 21
CXCL8 −6.2 92 18.369 −13.86 −17.202 21 21 21

Inline graphicKaempferol PTGS2 −9.5 5179 11.893 52.644 16.694 33 21 29
TNF −9 10384 29.389 −21.424 41.646 35 35 35
IL6 −8.8 2422 −28.73 32.674 41.7 27 21 21
JUN −7.9 1710 −2.548 −5.371 20.862 21 21 32
IL1B −6.6 154 −22.700 21.788 −13.997 21 21 21
CCL2 −7.1 195 −3.977 −17.987 4.759 21 21 21
IFNG −7.1 932 7.332 35.436 22.884 31 21 35
IL4 −6.4 70 9.769 34.813 −0.368 21 21 21
IL10 −6.7 162 42.705 34.512 43.604 21 21 21
CXCL8 −6.2 114 17.866 −9.064 −0.582 21 21 21

Inline graphicWogonin PTGS2 −9.1 5179 11.893 52.644 16.694 33 26 29
TNF −9 10384 29.389 −21.424 41.646 35 35 35
IL6 −8.3 2422 −28.73 32.674 41.7 27 20 20
JUN −8.4 1710 −2.548 −5.371 20.862 20 26 32
IL1B −6.4 154 −22.700 21.788 −13.997 20 20 20
CCL2 −6.4 195 −3.977 −17.987 4.759 20 20 20
IFNG −6.8 932 7.332 35.436 22.884 31 20 35
IL4 −6.2 397 30.6 32.102 12.819 20 20 20
IL10 −7.1 262 5.253 57.499 35.389 20 20 20
CXCL8 −6.3 114 17.866 −9.064 −0.582 20 20 20

Inline graphicFormononetin PTGS2 −9.3 5179 11.893 52.644 16.694 33 21 29
TNF −8.2 703 32.132 −11.15 −7.15 21 21 21
IL6 −8 608 −58.308 −3.426 17.841 21 21 21
JUN −7.2 1710 −2.548 −5.371 20.862 21 21 32
IL1B −6.5 111 −18.334 4.585 5.997 21 21 21
CCL2 −6.9 195 −3.977 −17.987 4.759 21 21 21
IFNG −7.2 932 7.332 35.436 22.884 31 21 35
IL4 −5.8 70 9.769 34.813 −0.368 21 21 21
IL10 −6.9 262 5.253 57.499 35.389 21 21 21
CXCL8 −6.6 114 17.866 −9.064 −0.582 21 21 21

Inline graphic7-O-Methylisomucronulatol PTGS2 −8.5 5179 11.893 52.644 16.694 33 21 29
TNF −8.1 703 32.132 −11.15 −7.15 21 21 21
IL6 −8.2 2422 −28.73 32.674 41.7 27 21 21
JUN −7.2 1710 −2.548 −5.371 20.862 21 21 32
IL1B −6.2 145 −15.895 9.344 14.260 21 21 21
CCL2 −6.1 195 −3.977 −17.987 4.759 21 21 21
IFNG −6.5 3791 −2.13 29.796 34.129 21 35 21
IL4 −5.6 70 9.769 34.813 −0.368 21 21 21
IL10 −6.9 162 42.705 34.512 43.604 21 21 21
CXCL8 −5.6 114 17.866 −9.064 −0.582 21 21 21