Additional file 1 of Multiple circulating alkaloids and saponins from intravenous Kang-Ai injection inhibit human cytochrome P450 and UDP-glucuronosyltransferase isozymes: potential drug–drug interactions
Creators: name: Qin, Zifei
name: Jia, Mengmeng
name: Yang, Jing
name: Xing, Han
name: Yin, Zhao
name: Yao, Zhihong
name: Zhang, Xiaojian
name: Yao, Xinsheng
Publisher: name: figshare
Year: 2020
Subjects: subject: Biophysics
subject: Biochemistry
subject: Space Science
subject: Medicine
subject: Physiology
subject: FOS: Biological sciences
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Marine Biology
subject: Cancer
subject: Hematology
subject: Infectious Diseases
subject: FOS: Health sciences

description: Additional file 1: Table S1. Information of unchanged compounds in rats after a 30 min-infusion of Kang-Ai injection (6 mL/kg) by UHPLC/Q-TOF–MS. Table S2. Linear correlation parameters, limits of detection (LODs) and lower limits of quantification (LLOQs) of each circulating compound in rat plasma after a 30 min-infusion of Kang-Ai injection (6 mL/kg). Table S3. Relative standard deviation (RSD) values of intra-day and inter-day precisions, and of sixteen compounds in rat plasma after a 30 min-infusion of Kang-Ai injection (6 mL/kg). Table S4. Matrix effect and extraction recovery of each compound and two internal standard (IS) in rat plasma after a 30 min-infusion of Kang-Ai injection (6 mL/kg). Table S5. Stability results of each compound and internal standard in rat plasma after a 30 min-infusion of Kang-Ai injection (6 mL/kg). Table S6. Linear correlation parameters, LLOQs of twenty analytes in rat urine after a 30 min-infusion of Kang-Ai injection (6 mL/kg). Table S7. Linear correlation parameters, LLOQs of twenty-one analytes in rat bile after a 30 min-infusion of Kang-Ai injection (6 mL/kg). Table S8. The IC50 values of six circulating alkaloids and saponins towards several recombinant CYP and UGT isozymes. Data represent the mean ± standard deviation of triplicate. Fig S1. Effects of different incubation conditions on the metabolism of mephenytoin by human CYP2C19 (mean ± SD, n = 3). (A) Tris buffer concentration; (B) pH values; (C) MgCl2 concentration; (D) NADPH concentration; (E) incubation time; (F) protein concentration. Fig S2. Effects of different incubation conditions on the metabolism of estradiol by UGT1A1. (A) Tris buffer concentration; (B) pH values; (C) MgCl2 concentration; (D) UDPGA concentration; (E) incubation time; (F) protein concentration. Data represent the mean ± standard deviation of triplicate. Fig S3. Chemical structures (A) and content levels (B) of circulating alkaloids, astragalosides and ginsenosides in rats after intravenous Kang-Ai injection (6 mL/kg). See Additional file 1: Table S1 for compounds identification and names. Fig S4. Representative MRM chromatograms of sixteen circulating compounds in plasma. (A) blank plasma, (B) blank plasma spiked with sixteen analytes at LLOQs, (C) rat plasma samples at 0.5 h after an intravenous 30 min-infusion of Kang-Ai injection. Fig. S5 Effects of several circulating compounds towards eight expressed CYP isozymes and three recombinant UGT enzymes. (A) matrine, (B) ginsenoside Rf, (C) ginsenoside Re, (D) ginsenoside Rd, (E) ginsenoside Rb1; The probe substrates were incubated at 37 °C in the absence (control, 0 μM) and presence of tested compounds (1, 10, and 100 μM for matrine; 0.1, 1, 10 and 100 μM for astragalosides and ginsenosides). Data represent the mean ± standard deviation of triplicate, (* compared with those of control, * p &lt; 0.05).