Network pharmacology-guided and TCM theory-supported in vitro and in vivo component identification of Naoluoxintong

Naoluoxintong (NLXT) has been used to treat ischemic stroke (IS) in China for more than two hundred years. However, the pharmacodynamic material basis of NLXT has not been fully studied. Under the guidance of the former network pharmacological analysis, a rapid and reliable method combining UPLC-Q-TOF-MS(E) with the novel informatics UNIFI™ platform was established which was used to study the composition of NLXT and its prototype components and metabolites in vivo. A total of 102 compounds were identified. 13 compounds were sourced from “Monarch herb”, mainly involving flavonoids and their glycosides. 54 compounds were sourced from “Minister herb”, mainly involving triterpenoid saponins, organic acids and lactones. 11 compounds were from the “Assistant herb”, mostly containing citric acid and esters of citric acid. 24 compounds were from the “Guide herb”, mostly including flavonoids and their glycosides, organic acids and lactones. Moreover, 24 prototype components and 30 metabolites were detected, and in vivo transformation pathways for different types of chemical components were provided. This is a comprehensive report on the identification of major chemical components in NLXT and metabolic components in rats by UPLC-Q-TOF-MS combined with UNIFI platform under the guidance of network pharmacology, which is helpful for the quality control of NLXT and the study of quality markers.