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. 2015 Dec 10;5:18080. doi: 10.1038/srep18080

Table 6. Calculated results of the relevance between 38 ingredients and 4 effect parameters.

Ingredients IL-1β TNF-α IL-8   IL-6  
GRD PCA-RC × 10−4 PLS-RC GRD PCC PLS-RC GRD PCC PLS-RC GRD PCA-RC × 10−3 PLS-RC
P1 0.703 3.512 −0.002 0.726 0.303 0.010 0.649 −0.278 −0.002 0.734 3.843 0.134
P2 0.710 6.102 0.044 0.729 0.342 0.015 0.669 −0.256 0.009 0.733 4.154 0.057
P3 0.716 −3.302 −0.109 0.750 0.300 −0.026 0.692 −0.263 −0.135 0.733 0.045 0.154
P4 0.690 −3.064 −0.005 0.744 0.522 0.030 0.713 −0.184 −0.165 0.701 −0.384 0.059
P5 0.625 −4.917 −0.214 0.617 −0.125 −0.092 0.596 0.072 0.485 0.626 0.892 −0.117
P6 0.718 3.057 −0.051 0.742 0.377 0.028 0.663 −0.218 0.069 0.729 3.059 0.098
P7 0.661 −0.825 −0.038 0.726 0.551 0.042 0.664 −0.160 −0.158 0.667 0.126 0.093
P8 0.830 −1.948 0.002 0.890 0.654 0.104 0.835 −0.115 −0.415 0.860 0.727 0.287
P9 0.805 1.358 −0.277 0.845 0.395 0.010 0.845 0.131 0.243 0.830 0.611 0.113
P10 0.771 4.040 0.098 0.798 0.572 0.067 0.733 −0.170 −0.180 0.785 3.997 0.138
P11 0.763 2.553 0.027 0.781 0.499 0.030 0.732 −0.172 −0.072 0.782 2.999 0.098
P12 0.716 4.295 0.164 0.693 −0.253 −0.039 0.705 −0.224 0.039 0.751 4.582 0.066
P13 0.797 4.204 −0.016 0.843 0.680 0.087 0.813 0.240 0.161 0.804 2.687 0.005
P14 0.797 1.909 0.088 0.865 0.683 0.089 0.817 0.237 0.033 0.802 1.170 −0.009
P15 0.797 3.016 0.015 0.851 0.649 0.079 0.813 0.276 0.158 0.802 1.988 −0.033
P16 0.786 2.051 −0.037 0.792 0.434 0.003 0.773 −0.050 0.136 0.782 2.885 0.010
P17 0.664 −3.325 0.028 0.736 0.526 0.021 0.691 0.043 −0.084 0.659 −1.445 −0.035
P18 0.737 0.453 0.046 0.811 0.580 0.038 0.755 0.104 0.106 0.735 1.107 −0.058
P19 0.772 −0.179 0.075 0.855 0.662 0.073 0.795 0.186 0.005 0.774 0.268 −0.017
P20 0.809 2.948 −0.022 0.858 0.590 0.054 0.822 0.233 0.220 0.817 2.285 −0.053
P21 0.798 1.100 0.116 0.870 0.703 0.084 0.802 0.081 −0.150 0.800 0.956 0.051
P22 0.811 0.277 0.028 0.873 0.620 0.055 0.823 0.170 0.037 0.813 0.684 −0.011
P23 0.799 7.737 0.271 0.724 −0.263 0.021 0.726 −0.243 −0.308 0.773 4.621 0.098
P24 0.663 −3.070 0.062 0.718 0.620 0.059 0.634 0.038 −0.186 0.655 −1.741 0.010
P25 0.635 −4.924 0.030 0.645 0.109 −0.015 0.613 −0.167 −0.221 0.638 0.707 0.151
P26 0.646 −4.169 −0.107 0.619 −0.513 −0.141 0.604 −0.345 −0.356 0.642 0.497 0.134
P27 0.788 7.508 0.169 0.746 −0.254 0.003 0.734 −0.057 −0.013 0.768 4.759 −0.022
P28 0.707 4.293 0.073 0.645 −0.434 0.010 0.638 −0.017 −0.102 0.706 1.693 0.099
P29 0.756 −8.238 −0.094 0.832 0.120 −0.084 0.781 −0.233 −0.044 0.779 −2.866 −0.136
P30 0.816 −8.395 −0.138 0.859 −0.115 −0.124 0.848 −0.317 0.057 0.845 −2.066 −0.184
P31 0.840 −8.689 −0.068 0.861 −0.129 −0.111 0.872 −0.411 −0.177 0.874 −3.022 −0.151
P32 0.664 −3.409 0.068 0.727 0.546 0.033 0.677 0.006 −0.161 0.660 −1.698 −0.073
P33 0.648 −6.697 0.010 0.711 0.340 −0.031 0.675 −0.095 −0.142 0.670 −2.782 −0.124
P34 0.678 −4.975 −0.014 0.745 0.531 0.030 0.680 0.111 −0.035 0.672 −2.554 −0.038
P35 0.690 −7.085 −0.040 0.673 −0.038 −0.011 0.646 0.083 0.066 0.663 −0.950 0.016
P36 0.740 10.915 0.020 0.722 −0.055 0.060 0.743 0.082 −0.031 0.720 2.529 0.081
P37 0.714 8.958 0.254 0.647 −0.268 0.003 0.657 −0.453 −0.624 0.683 3.595 0.378
P38 0.666 7.906 −0.036 0.718 −0.002 0.068 0.683 0.082 0.186 0.680 1.779 0.002

For the results of grey relational degree (GRD), Pearson's correlation coeffiecient (PCC), and regression coefficient (RC), positive or negative values represent positive or negative effect contributions, respectively. The larger the absolute value, the higher the positive or negative effect contribution.

P12, P23, P27, P28, and P37 mainly contributed to IL-1β; P8, P13, P14, P15, P19, and P21 to TNF-α; P9, P13, P15, P18, and P20 to IL-8; P1, P6, P10, P23, and P37 to IL-6.

P29 and P30 might have a negative effect on IL-1β; P26 on TNF-α; P26 and P37 on IL-8; P31 on IL-6.

Lysine (P1), γ-aminobutyric acid (P6), chelidonic acid (P8), tyrosine (P10), harpagide (P12), neochlorogenic acid (P13), chlorogenic acid (P14), cryptochlorogenic acid (P15), isoquercitrin (P18), luteolin-7-O-glucoside (P19), 3,4-dicaffeoylquinic acid (P20), 3,5-dicaffeoylquinic acid (P21), angoroside C (P23), harpagoside (P27), cinnamic acid (P28) and ruscogenin (P37) are the core bioactive ingredients on anti-inflammatory effects.

The regression equation between the extracted components and IL-1β (stepwise regression): YIL-1β = 0.066 + 0.003 × Component4-0.001 × Component1 (P < 0.05). After replacing the extracted components with the original variables: YIL-1β = 0.066 + 3.51 × 10−4P1 + 6.10 × 10−4P2+……+7.91 × 10−4P38.

The regression equation between extracted components and IL-6 (stepwise regression): YIL-6 = 0.401 + 0.013 × Component4 + 0.008 × Component2 (P < 0.05). After replacing the extracted components with the original variables: YIL-6 = 0.401 + 3.84 × 10−3P1 + 4.15 × 10−3P2+……+1.78 × 10−3P38.

A dynamic KYQG ingredient-effect relevance bubble chart and a dynamic KYQG herb-effect relevance bubble chart based on the computed results are provided as the Supplementary File (KYQG ingredient-effect relevance bubble chart S1, KYQG herb-effect relevance bubble chart S2) to illustrate a clear picture of anti-inflammatory effects of the 38 identified ingredients and 5 herbs.