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Tyrosinase inhibitors can alleviate the harm to the liver caused by tyrosinase. How to effectively screen out natural tyrosinase inhibitors becomes a focus. In this study, Isodon excisoides was first extracted with the ultrasound optimized by response surface methodology. Then, a method combined ultrafiltration with ultra‐liquid chromatography mass spectrometry (UHPLC/MS) was built to screen and identify tyrosinase inhibitors. The binding energies of active ingredients to tyrosinase were calculated by molecular docking. The reliability of the results was validated by the IC50 of enzyme inhibition assay. As a result, the binding energies of 7 components including excisanin B, lasiokaurin, rabdophyllin G, rabdoserrin B, rabdosin D, rabdosinate and weisiensin were lower than that of resveratrol. It was indicated that these components had high tyrosinase inhibitory activity. The IC50 values of lasiokaurin and excisanin B were 177 and 142 μmol/mL, which were less than that of resveratrol (183 μmol/mL). It showed that this way was simple, rapid, reliable and effective, which provided a new strategy to screen natural bioactive compounds from plants.

Rationale: Fritillaria cirrhosae bulbus (BFC), a typical traditional Chinese medicine with multiple botanical sources, has been used for relieving cough and reducing sputum. Studies have shown that there were obvious differences in the chemical compositions and clinical efficacy of different sources of BFC. How to characterise BFC from botanical sources accurately and quickly is vital for drug quality evaluation and clinical applications.Methods: In the present study, an integrated strategy of plant metabolomics combined with the target network pharmacology was developed to characterise BFC. Plant metabolomics analysis was performed to screen out the chemical markers of six species of BFC. Then, target network pharmacology was applied to explore the relationship between chemical markers and related diseases. Finally, potential Q-markers for species characterization were selected by combined analysis of plant metabolomics and the target network pharmacology.Results: A total of 67 Fritillaria alkaloid compounds were identified. Six species showed clear characterization by multivariate statistical analysis, resulting in 12 chemical markers. Meanwhile, a total of nine components related to asthma were screened out based on the target network pharmacology. Taking content difference and pharmacological activity into consideration, nine constituents were selected as potential Q-markers. Conclusion:The method developed provided not only a standard protocol for characterising different species of BFC directly, but also an effective approach for multisource medicines discrimination. | INTRODUCTIONFritillaria cirrhosae bulbus (BFC) is a perennial herbaceous plant in the Liliaceae family and recorded in the Chinese Pharmacopoeia. It has the effects of clearing heat and moistening the lungs, eliminating phlegm and relieving asthma. 1,2 BFC is a typical traditional Chinese medicine (TCM) with multiple botanical sources including FritiLlaria cirrhosa D. Don (F. cirrhosa), FritiLlaria unibracteata Hsiao et K.C.Hsia (F. unibracteata), Fritillaria przewalkii Maxim. (F. przewalskii), Fritillaria delavayi Franch (F. delavayi), Fritillaria taipaiensis P.Y.Li (F. taipaiensis), Abbreviations: BFC, Fritillariae cirrhosae bulbus; cAMP, cyclic adenosine monophosphate; CES, cigarette smoke extract; cps, counts per second; CS, cigarette smoke; FAs, Fritillaria alkaloids; IDA, information dependent acquisition; OMIM, Online Mendelian Inheritance in Men; PCA, principal component analysis; PLS-DA, partial least squared discriminant analysis; PPI, protein-protein interaction; TCM, traditional Chinese medicine; UPLC-QTOF-MS/MS, UPLC-hybrid triple quadrupole time of flight-MS/MS; VIP, variable importance in projection.Xi Tian and Jiali Hou contributed equally to this work.

Rationale: Anemarrhenae Rhizoma (AR) has been an often used traditional Chinese medicine (TCM) for a long time. Its salt-processed form is one of the most common application forms. Modern pharmacological research has shown that the saltprocessed product has various significantly enhanced pharmacological activities.However, the pharmacodynamic material basis of this change is not yet known. The aim of this study was to develop a strategy to screen pharmacodynamic substances in AR and salt-processed AR (SAR).Methods: An integrated strategy combining plant metabolomics with molecular docking technology was established to screen pharmacodynamic substances. The plant metabolomics analysis was performed to select the chemical markers between AR and SAR. Then, molecular docking technology was applied to explore the relationship between chemical markers and diabetes targets (α-glucosidase). Finally, potential quality control markers were screened.Results: There were significant differences in the quantification of nine steroidal saponins between AR and SAR. The results of plant metabolomics analysis showed a quite clear discrimination including 29 chemical markers between AR and SAR.

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