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.