Combining multiple acquisition modes and computational data annotation for structural characterization in traditional Chinese medicine: Miao Nationality medicine Qijiao Shengbai Capsule as a case study

Abstract

Qijiao Shengbai Capsule (QSC) is a reputable Miao Nationality medicine used for treating leukopenia, but its chemical composition has not yet been elucidated.

Identification of chemical components and rat serum metabolites in Danggui Buxue decoction based on UPLC-Q-TOF-MS, the UNIFI platform and molecular networks

“…22 In addition, retro-Diels–Alder (RDA) reaction was the most likely fragmentation pathways for flavonoids, which results in a series of characteristic fragment ions. 11 Eleven compounds, including peak 53 , 65 , 81 , 96 , 104 , 106 , 107 , 114 , 119 , 128 , 144 were definitely identified by comparison with reference standards.…”

“…10 Currently, GNPS has been widely applied to metabolomics, identifying chemical components of TCM, and inferring unknown compounds of TCM formulas based on the correlation of individual nodes. [11][12][13] Therefore, the combination of the above data processing platform and various acquisition modes can greatly improve the accuracy and efficiency for identifying chemical components and metabolites in TCM formulas.…”

Exploring the effects of Qijiao Shengbai capsule on leukopenic mice from the perspective of intestinbased on metabolomics and 16S rRNA sequencing

“…It is usually used as a prebiotic to regulate intestinal microbiota structure and host metabolites, and further as a new way to target intestinal microbiota for disease treatment [ 8 ]. QJSB is a well-known Hmong medicine composed of seven ingredients that can be used to improve leukopenia, including Buerger Lespedeza Root (XRS), Astragalus Membranaceus (HQ), Equus Asinus L. (EJ), Radix Angelicae Sinensis (DG), Fructus Ziziphi Jujubae (DZ), Sophora Flavescens (KS) and Epimedium (YYH) in the ratio of 3:6:2:2:2:2:3 [ 9 ]. The combination of the herbs in the formula has the effect of benefiting qi and tonifying the blood [ 10 ].…”

Integrated transcriptomic and metabolomic profiles reveal the protective mechanism of modified Danggui Buxue decoction on radiation-induced leukopenia in mice

“…In order to improve the ability to nourish blood, DG and HQ are often used in combination with other botanical drugs in clinical to form modified Danggui Buxue Decoction (MDBD). Traditional Chinese medicine formulas for treating leukopenia, such as Qijiao Shengbai Capsule (Ma et al, 2022) and Qijing Shengbai Granule (Huang, 2019), both contain DG and HQ. Meanwhile, DG and HQ that make up DBD are also the two most frequently used botanical drugs in clinical treatment of aplastic anemia (Dong et al, 2022).…”