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Material basis of Chinese herbal formulas explored by combining pharmacokinetics with network pharmacology.

Pei L, Bao Y, Liu S, Zheng J, Chen X - PLoS ONE (2013)

Bottom Line: However, the bioactive compounds that account for their therapeutic effects remain unclear.Up to 12 compounds were detected in the BZ decoction, but only 5 could be analyzed using PK parameters.Combined PK results, network pharmacology analysis revealed that 4 compounds might serve as the material basis for BZ.

View Article: PubMed Central - PubMed

Affiliation: Pharmacology Laboratory of Traditional Chinese Medicine, Longhua Hospital, Shanghai University of Traditional Chinese Medicine, Shanghai, China.

ABSTRACT
The clinical application of Traditional Chinese medicine (TCM), using several herbs in combination (called formulas), has a history of more than one thousand years. However, the bioactive compounds that account for their therapeutic effects remain unclear. We hypothesized that the material basis of a formula are those compounds with a high content in the decoction that are maintained at a certain level in the system circulation. Network pharmacology provides new methodological insights for complicated system studies. In this study, we propose combining pharmacokinetic (PK) analysis with network pharmacology to explore the material basis of TCM formulas as exemplified by the Bushen Zhuanggu formula (BZ) composed of Psoralea corylifolia L., Aconitum carmichaeli Debx., and Cnidium monnieri (L.) Cuss. A sensitive and credible liquid chromatography tandem mass spectrometry (LC-MS/MS) method was established for the simultaneous determination of 15 compounds present in the three herbs. The concentrations of these compounds in the BZ decoction and in rat plasma after oral BZ administration were determined. Up to 12 compounds were detected in the BZ decoction, but only 5 could be analyzed using PK parameters. Combined PK results, network pharmacology analysis revealed that 4 compounds might serve as the material basis for BZ. We concluded that a sensitive, reliable, and suitable LC-MS/MS method for both the composition and pharmacokinetic study of BZ has been established. The combination of PK with network pharmacology might be a potent method for exploring the material basis of TCM formulas.

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LC-MS/MS chromatograms of 15 constituents (A) blank rat plasma sample spiked with 15 standards; (B) blank rat plasma sample; (C) decoction of BZ; (D) rat plasma sample collected after single oral dose of BZ.
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pone-0057414-g002: LC-MS/MS chromatograms of 15 constituents (A) blank rat plasma sample spiked with 15 standards; (B) blank rat plasma sample; (C) decoction of BZ; (D) rat plasma sample collected after single oral dose of BZ.

Mentions: Under our conditions, a sensitive and reliable analytical method for the simultaneous quantification of 15 compounds has been developed. Representative chromatograms of the compounds in pure solvent (water), formula extract, and rat plasma extract are shown in Fig. 2, which indicates that the developed method is selective for all 15 compounds tested in the formula decoction and rat plasma without any obvious interference.


Material basis of Chinese herbal formulas explored by combining pharmacokinetics with network pharmacology.

Pei L, Bao Y, Liu S, Zheng J, Chen X - PLoS ONE (2013)

LC-MS/MS chromatograms of 15 constituents (A) blank rat plasma sample spiked with 15 standards; (B) blank rat plasma sample; (C) decoction of BZ; (D) rat plasma sample collected after single oral dose of BZ.
© Copyright Policy
Related In: Results  -  Collection

Show All Figures
getmorefigures.php?uid=PMC3585395&req=5

pone-0057414-g002: LC-MS/MS chromatograms of 15 constituents (A) blank rat plasma sample spiked with 15 standards; (B) blank rat plasma sample; (C) decoction of BZ; (D) rat plasma sample collected after single oral dose of BZ.
Mentions: Under our conditions, a sensitive and reliable analytical method for the simultaneous quantification of 15 compounds has been developed. Representative chromatograms of the compounds in pure solvent (water), formula extract, and rat plasma extract are shown in Fig. 2, which indicates that the developed method is selective for all 15 compounds tested in the formula decoction and rat plasma without any obvious interference.

Bottom Line: However, the bioactive compounds that account for their therapeutic effects remain unclear.Up to 12 compounds were detected in the BZ decoction, but only 5 could be analyzed using PK parameters.Combined PK results, network pharmacology analysis revealed that 4 compounds might serve as the material basis for BZ.

View Article: PubMed Central - PubMed

Affiliation: Pharmacology Laboratory of Traditional Chinese Medicine, Longhua Hospital, Shanghai University of Traditional Chinese Medicine, Shanghai, China.

ABSTRACT
The clinical application of Traditional Chinese medicine (TCM), using several herbs in combination (called formulas), has a history of more than one thousand years. However, the bioactive compounds that account for their therapeutic effects remain unclear. We hypothesized that the material basis of a formula are those compounds with a high content in the decoction that are maintained at a certain level in the system circulation. Network pharmacology provides new methodological insights for complicated system studies. In this study, we propose combining pharmacokinetic (PK) analysis with network pharmacology to explore the material basis of TCM formulas as exemplified by the Bushen Zhuanggu formula (BZ) composed of Psoralea corylifolia L., Aconitum carmichaeli Debx., and Cnidium monnieri (L.) Cuss. A sensitive and credible liquid chromatography tandem mass spectrometry (LC-MS/MS) method was established for the simultaneous determination of 15 compounds present in the three herbs. The concentrations of these compounds in the BZ decoction and in rat plasma after oral BZ administration were determined. Up to 12 compounds were detected in the BZ decoction, but only 5 could be analyzed using PK parameters. Combined PK results, network pharmacology analysis revealed that 4 compounds might serve as the material basis for BZ. We concluded that a sensitive, reliable, and suitable LC-MS/MS method for both the composition and pharmacokinetic study of BZ has been established. The combination of PK with network pharmacology might be a potent method for exploring the material basis of TCM formulas.

Show MeSH