Deciphering the absorption profile and interaction of multi-components of Zhi-Zi-Da-Huang decoction based on in vitro–in silico–in vivo integrated strategy

References

• Alam MA, Al-Jenoob FI, Al-Mohizea AM. (2012). Everted gut sac model as a tool in pharmaceutical research: limitations and applications. J Pharm Pharmacol 64:326–36.
   PubMed Web of Science ®Google Scholar
• Chen RN, Shen CL, Xu QQ, et al. (2017). The permeability characteristics and interaction of main components from Si-Ni-San in a MDCK epithelial cell monolayer model. Xenobiotica 1. DOI: 10.1080/00498254.2017.1359433.
   PubMed Web of Science ®Google Scholar
• Chula S, Hang L, Yinying B, et al. (2012). The effects of notoginsenoside R1 on the intestinal absorption of geniposide by the everted rat gut sac model. J Ethnopharmacol 142:136–43.
   PubMed Web of Science ®Google Scholar
• Cruz A, Muntane J. (2011). Alcoholic liver disease, oxidative stress, and antioxidants. Rev Esp Enferm Dig 103:393–5.
   PubMed Web of Science ®Google Scholar
• Doak BC, Over B, Giordanetto F, et al. (2014). Oral druggable space beyond the rule of 5: insights from drugs and clinical candidates. Chem Biol 21:1115–42.
   PubMed Web of Science ®Google Scholar
• Dong W, Wang P, Meng XC, et al. (2012). Ultra-performance liquid chromatography-high-definition mass spectrometry analysis of constituents in the root of radix stemonae and those absorbed in blood after oral administration of the extract of the crude drug. Phytochem Anal 23:657–67.
   PubMed Web of Science ®Google Scholar
• Ertl P, Rohde B, Selzer P. (2000). Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties. J Med Chem 43:3714–7.
   PubMed Web of Science ®Google Scholar
• Fernandes J, Gattass CR. (2009). Topological polar surface area defines substrate transport by multidrug resistance associated protein 1 (MRP1/ABCC1). J Med Chem 52:1214–8.
   PubMed Web of Science ®Google Scholar
• Gao B, Bataller R. (2011). Alcoholic liver disease: pathogenesis and new therapeutic targets. Gastroenterology 141:1572–85.
   PubMed Web of Science ®Google Scholar
• Han SY, Qiao JQ, Zhang YY, et al. (2011). Determination of n-octanol/water partition coefficient for DDT-related compounds by RP-HPLC with a novel dual-point retention time correction. Chemosphere 83:131–6.
   PubMed Web of Science ®Google Scholar
• Han YQ, Wang J, Cui QX, et al. (2014). Absorption, metabolism and effect of compatibility on absorption of qishenyiqi dropping pill. Biomed Chromatogr 28:554–63.
   PubMed Web of Science ®Google Scholar
• Hou JP, He X, Xu XF, et al. (2012). Application of an in vitro DDASS to evaluate oral absorption of two chemicals simultaneously: establishment of a level A in vitro-in vivo correlation. Drug Dev Ind Pharm 38:1305–12.
   PubMed Web of Science ®Google Scholar
• Korinth G, Wellner T, Schaller KH, et al. (2012). Potential of the octanol-water partition coefficient (logP) to predict the dermal penetration behaviour of amphiphilic compounds in aqueous solutions. Toxicol Lett 215:49–53.
   PubMed Web of Science ®Google Scholar
• Laitinen L, Takala E, Vuorela H, et al. (2007). Anthranoid laxatives influence the absorption of poorly permeable drugs in human intestinal cell culture model (Caco-2). Eur J Pharm Biopharm 66:135–45.
   PubMed Web of Science ®Google Scholar
• Lapčík O, Klejdus B, Kokoška L, et al. (2005). Identification of isoflavones in Acca sellowiana and two Psidium species (Myrtaceae). Biochem Syst Ecol 33:983–92.
   Web of Science ®Google Scholar
• Li YC, Su ZR, Lin SH, et al. (2014). Characterisation of the metabolism of pogostone in vitro and in vivo using liquid chromatography with mass spectrometry. Phytochem Anal 25:97–105.
   PubMed Web of Science ®Google Scholar
• Liang XL, Liao ZG, Zhu JY, et al. (2012). The absorption characterization effects and mechanism of Radix Angelicae dahuricae extracts on baicalin in Radix Scutellariae using in vivo and in vitro absorption models. J Ethnopharmacol 139:52–7.
   PubMed Web of Science ®Google Scholar
• Lipinski CA, Lombardo F, Dominy BW, et al. (2001). Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Deliv Rev 46:3–26.
   PubMed Web of Science ®Google Scholar
• Liu JY, Lee KF, Sze CW, et al. (2013). Intestinal absorption and bioavailability of traditional Chinese medicines: a review of recent experimental progress and implication for quality control. J Pharm Pharmacol 65:621–33.
   PubMed Web of Science ®Google Scholar
• Liu W, Feng Q, Li Y, et al. (2012). Coupling of UDP-glucuronosyltransferases and multidrug resistance-associated proteins is responsible for the intestinal disposition and poor bioavailability of emodin. Toxicol Appl Pharmacol 265:316–24.
   PubMed Web of Science ®Google Scholar
• Liu XX, Tang MH, Liu TH, et al. (2017). The in vivo pharmacokinetics, tissue distribution and excretion investigation of mesaconine in rats and its in vitro intestinal absorption study using UPLCMS/MS. Xenobiotica 1–9. DOI: 10.1080/0048254.2017.1416206
   PubMed Web of Science ®Google Scholar
• Long ZM, Zhang RW, Zhao X, et al. (2013). Determination and pharmacokinetics of geniposidic acid in rat plasma after oral administration of Gardenia jasminoides fruit crude extract and Zhi-Zi-Chi decoction. Biomed Chromatogr 27:812–6.
   PubMed Web of Science ®Google Scholar
• Luo ZQ, Liu Y, Zhao BS, et al. (2013). Ex vivo and in situ approaches used to study intestinal absorption. J Pharmacol Toxicol Methods 68:208–16.
   PubMed Web of Science ®Google Scholar
• Ma BL, Yao MK, Zhong J, et al. (2012). Increased systemic exposure to rhizoma coptidis alkaloids in lipopolysaccharide-pretreated rats attributable to enhanced intestinal absorption. Drug Metab Dispos 40: 381–8.
   PubMed Web of Science ®Google Scholar
• Meng K, Liu KX. (2014). Pharmacokinetic interactions between herbal medicines and prescribed drugs: focus on drug metabolic enzymes and transporters. Curr Drug Metab 15:791–807.
   PubMed Web of Science ®Google Scholar
• Moda TL, Andricopulo AD. (2012). Consensus hologram QSAR modeling for the prediction of human intestinal absorption. Bioorg Med Chem Lett 22:2889–93.
   PubMed Web of Science ®Google Scholar
• Peng Y, Fan M, Peng CS, et al. (2018). Alleviating the intestinal absorption of rhein in rhubarb through herb compatibility in Tiaowei Chengqi Tang in Caco-2 cells. Evid Based Complement Alternat Med 2018:1.
   Google Scholar
• Polkam N, Ramaswamy VR, Rayam P, et al. (2016). Synthesis, molecular properties prediction and anticancer, antioxidant evaluation of new edaravone derivatives. Bioorg Med Chem Lett 26:2562–8.
   PubMed Web of Science ®Google Scholar
• Rutkowska E, Pajak K, Jóźwiak K. (2013). Lipophilicity-methods of determination and its role in medicinal chemistry. Acta Pol Pharm 70:3–18.
   PubMed Web of Science ®Google Scholar
• Wang H, Feng F, Zhuang BY, et al. (2009). Evaluation of hepatoprotective effect of Zhi-Zi-Da-Huang decoction and its two fractions against acute alcohol-induced liver injury in rats. J Ethnopharmacol 126:273–9.
   PubMed Web of Science ®Google Scholar
• Wang JJ, Shi QS, Wu CY, et al. (2016). Dynamic metabolic profile of Zhi-Zi-Da-Huang decoction in rat urine based on hybrid liquid chromatography-mass spectrometry coupled with solid phase extraction. J Chromatogr B 1036:100–113.
   PubMed Web of Science ®Google Scholar
• Wang M, Hu Q, Shi QS, et al. (2017). Metabolic profile elucidation of Zhi-Zi-Da-Huang decoction in rat intestinal bacteria using high-resolution mass spectrometry combined with multiple analytical perspectives. Xenobiotica 1. DOI: 10.1080/00498254.2017.1414972.
   Web of Science ®Google Scholar
• Wu H, Li XX, Yan XM, et al. (2015). An untargeted metabolomics-driven approach based on LC-TOF/MS and LC-MS/MS for the screening of xenobiotics and metabolites of Zhi-Zi-Da-Huang decoction in rat plasma. J Pharm Biomed Anal 115:315–322.
   PubMed Web of Science ®Google Scholar
• Xue BJ, Zhao YY, Su J, et al. (2017). In vitro intestinal absorption and metabolism of magnoflorine and its potential interaction in Coptidis Rhizoma decoction in rat. Eur J Drug Metab Pharmacokinet 42:281–93.
   PubMed Web of Science ®Google Scholar
• Yan DM, Ma BL, Shi R, et al. (2015). Involvement of herb-herb interactions in the influences of Radix Scutellaria and Coptis Chinensis on the bioavailability of the anthraquinones form Rhei Rhizoma in rats. Eur J Drug Metab Pharmacokinet 40:103–10.
   PubMed Web of Science ®Google Scholar
• Zhang S, Li YJ, Zhang CX, et al. (2016). Research on the change of chemical composition in productive process of Re Du Ning injection by HPLC/Q-TOF MS. Biomed Chromatogr 30:131–41.
   PubMed Web of Science ®Google Scholar
• Zhang YC, Xu HY, Chen XM, et al. (2012). Study on the application of intestinal absorption in vitro coupled with bioactivity assessment in Yuanhu Zhitong preparation. J Med Plants Res 6:1941–7.
   Google Scholar
• Zheng XC, Yang D, Liu X, et al. (2010). Identification of a new anti-LPS agent, geniposide, from Gardenia jasminoides Ellis, and its ability of direct binding and neutralization of lipopolysaccharide in vitro and in vivo. Int Immunopharmacol 10:1209–19.
   PubMed Web of Science ®Google Scholar
• Zhou J, Ma YH, Zhou Z, et al. (2015). Intestinal absorption and metabolism of epimedium flavonoids in osteoporosis rats. Drug Metab Dispos 43:1590–600.
   PubMed Web of Science ®Google Scholar
• Zhou MM, Hong YL, Lin X, et al. (2017). Recent pharmaceutical evidence on the compatibility rationality of traditional Chinese medicine. J Ethnopharmacol 206:363–75.
   PubMed Web of Science ®Google Scholar
• Zhou T, Liu H, Wen J, et al. (2010). Fragmentation study of iridoid glycosides including epimers by liquid chromatography-diode array detection/electrospray ionization mass spectrometry and its application in metabolic fingerprint analysis of Gardenia jasminoides Ellis. Rapid Commun Mass Spectrom 24:2520–8.
   PubMed Web of Science ®Google Scholar
• Zhu HY, Yin R, Han F, et al. (2014). Characterization of chemical constituents in Zhi-Zi-Da-Huang decoction by ultra high performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry. J Sep Sci 37:3489–96.
   PubMed Web of Science ®Google Scholar
• Zou LL, Li XX, Shi QH, et al. (2014). An effective integrated method for comprehen-sive identification of eighty-five compounds in Zhi-Zi-Da-Huang decoction by HPLC-DAD-ESI-MS (TOF) and HPLC-DAD-ESI-MS/MS (QqQ) without the help of reference standards. Anal Methods 6:4312–4327.
   Web of Science ®Google Scholar