From chemical consistency to effective consistency in precise quality discrimination of Sophora flower-bud and Sophora flower: Discovering efficacy-associated markers by fingerprint-activity relationship modeling

Study on the spectrum‐effect relationship of the xanthine oxidase inhibitory activity of Ligustrum lucidum

“…A positive coefficient indicates that it is positively correlated with the enzyme activity, while a negative number indicates that it is negatively correlated with the enzyme activity. The IC 50 for XO activity increased with increasing peak areas of 3,4,7,10,11,16,17,18,20,21,23,24,25,26,27,28, and 30, indicating that this component group was positively correlated with XO inhibitory activity and that peaks 1,2,5,6,8,9,12,13,14,15,19,22,31,32, and 33 were negatively correlated with their inhibitory activities ( Figure 6). Variable importance in projection (VIP) scores is important indicators that reflect the ability of independent variables to explain dependent variables.…”

“…These methods enable rapid analysis, complement their respective advantages, and can be used to comprehensively evaluate the quality of L. lucidum. GRA showed that the main components responsible for the XO inhibitory activity of L. lucidum might be characteristic peaks 1,2,4,5,6,7,8,9,11,12,14,15,16,17,20,21,23,25,27,28,29,31,32, and 33. PLS analysis showed that peaks 1, 2, 4, 5, 6, 7, 14, 17, 22, 24, 25, 28, 31, F I G U R E 6 Effect coefficient of each chromatographic peak on the xanthine oxidase inhibitory activity F I G U R E 7 VIP contribution of each characteristic peak to the antioxidant activity of Ligustrum lucidum and 33 had significant effects on the XO inhibitory activity.…”

“…The gray relational grade is shown in 4,25,26,27,28,29, and 30 was greater than 0.8, indicating that they had a relatively significant effect on the XO activity. Components 1,2,3,5,6,7,8,9,10,11,12,14,15,16,17,18,19,20,21,22,23,24,31,32, and 33 all had correlation degrees greater than 0.7, indicating a significant effect on the XO activity. Combined with the data in the table, it can be seen that the inhibitory activities of characteristic peaks 1,2,4,5,6,7,8,9,11,12,14,15,16,17,20,21,23,25,27,28,29,…”

Approaches to establish Q-markers for the quality standards of traditional Chinese medicines

“…Automatic annotation of plant metabolites by in silico database is also achievable9, 10. On the other hand, a number of new theories/strategies and analytical techniques, such as phytomics QC 11 , spectrum-effect relationship12, 13, metabolomics/chinmedomics14, 15, serum pharmacology/serum pharmacochemistry16, 17, biochromatography 18 , affinity ultrafiltration/LC–MS coupled with in silico molecular docking19, 20, and activity index (AI) 21 or combination index (CI) 22 , etc., have been developed to screen the bioactive components responsible for the holistic efficacy and to investigate the synergetic effect of multiple components. Network pharmacology is a powerful tool that can elucidate the targets network and inspire drug discovery 23 .…”

Novel strategy for quality consistency evaluation of Chinese medicine “YIQING” tablet that combines the simultaneous quantification and screening of ten bioactive constituents

“…Currently, fingerprint has been introduced and applied by the World Health Organization (WHO), Food and Drug Administration (FDA), and European Medicines Agency (EMEA) as a strategy for the quality assessment of TCM . So far, several hyphenated chromatographic techniques, such as HPLC with diode array detection (DAD), GC–MS, and CE–DAD, have become the most frequently applied and powerful techniques to obtain a fingerprint . HPLC–DAD, which demonstrates the absorptions at each retention time point of every scanning wavelength, can provide more chemical information using for the simultaneous qualitative and quantitative analysis of HP S .…”