Searching for the main anti‐bacterial components in artificial Calculus bovis using UPLC and microcalorimetry coupled with multi‐linear regression analysis

The fingerprints of artificial Calculus bovis extracts from different solvents were established by ultra‐performance liquid chromatography (UPLC) and the anti‐bacterial activities of artificial C. bovis extracts on Staphylococcus aureus ( S. aureus ) growth were studied by microcalorimetry. The UPLC fingerprints were evaluated using hierarchical clustering analysis. Some quantitative parameters obtained from the thermogenic curves of S. aureus growth affected by artificial C. bovis extracts were analyzed using principal component analysis. The spectrum–effect relationships between UPLC fingerprints and anti‐bacterial activities were investigated using multi‐linear regression analysis. The results showed that peak 1 (taurocholate sodium), peak 3 (unknown compound), peak 4 (cholic acid), and peak 6 (chenodeoxycholic acid) are more significant than the other peaks with the standard parameter estimate 0.453, −0.166, 0.749, 0.025, respectively. So, compounds cholic acid, taurocholate sodium, and chenodeoxycholic acid might be the major anti‐bacterial components in artificial C. bovis . Altogether, this work provides a general model of the combination of UPLC chromatography and anti‐bacterial effect to study the spectrum–effect relationships of artificial C. bovis extracts, which can be used to discover the main anti‐bacterial components in artificial C. bovis or other Chinese herbal medicines with anti‐bacterial effects.