Abstract
Traditional natural product discovery affords no information about compound structure or pharmacological activities until late in the discovery process, and leads to low probabilities of finding compounds with unique biological properties. By integrating serum pharmacochemistry-based screening with high-resolution metabolomics analysis, we have developed a new platform, termed chinmedomics which is capable of directly discovering the bioactive constituents. In this work, the focus is on ShenQiWan (SQW) treatment of ShenYangXu (SYX, kidney-yang deficiency syndrome) as a case study, as determined by chinmedomics. With serum pharmacochemistry, a total of 34 peaks were tentatively characterised in vivo, 24 of which were parent components and 10 metabolites were detected. The metabolic profiling and potential biomarkers of SYX were also investigated and 23 differential metabolites were found. 20 highly correlated components were screened by the plotting of correlation between marker metabolites and serum constituents and considered as the main active components of SQW. These compounds are imported into a database to predict the action targets: 14 importantly potential targets were found and related to aldosterone-regulated sodium reabsorption and adrenergic signaling pathways. Our study showed that integrated chinmedomics is a powerful strategy for discovery and screening of effective constituents from herbal medicines.
Highlights
IntroductionAccording to the original composition and preparation method of SQW recorded in the ‘Synopsis of the Golden Chamber’, the SQW was prepared as follows: Radix Rehmanniae Preparata, Fructus Macrocarpii, Rhizoma Dioscoreae Oppositae, Rhizoma Alismatis, Poria, Cortex Moutan Radicis, Radix aconiti lateralis preparata, and Ramulus Cinnamomi were mixed in proportions 8:4:4:3:3:3:1:1, and ground, mixed, and reflux extracted in a rotary evaporator with six times the volume of 100% methanol for 2 h (twice), the filtrate was freeze-dried
Chen et al had used GC/MS metabolomics to investigate in vivo urine biochemical modification of kidney deficiency syndromes induced by high doses of hydrocortisone. 23 endogenous urinary metabolites of rats perturbed after treatment with hydrocortisone were measured by GC/MS, and these substances are involved in multiple biochemical processes, such as energy metabolism, lipid metabolism, and amino acid metabolism
ShenQiWan (SQW) is a typical Traditional Chinese medicine (TCM) formula for invigorating SYX and has been so for thousands of years in Asia: it was first recorded in the “Synopsis of the Golden Chamber”, consisting of Radix Rehmanniae Preparata, Fructus Macrocarpii, Rhizoma Dioscoreae Oppositae, Rhizoma Alismatis, Poria, Cortex Moutan Radicis, Radix aconiti lateralis preparata, and Ramulus Cinnamomi
Summary
According to the original composition and preparation method of SQW recorded in the ‘Synopsis of the Golden Chamber’, the SQW was prepared as follows: Radix Rehmanniae Preparata, Fructus Macrocarpii, Rhizoma Dioscoreae Oppositae, Rhizoma Alismatis, Poria, Cortex Moutan Radicis, Radix aconiti lateralis preparata, and Ramulus Cinnamomi were mixed in proportions 8:4:4:3:3:3:1:1, and ground, mixed, and reflux extracted in a rotary evaporator with six times the volume of 100% methanol for 2 h (twice), the filtrate was freeze-dried. The raw SQW powder was dissolved in distilled water to form a stock solution (0.3389 g/ml) This solution was orally administrated to male Wistar rats (1 ml per 100 g body mass). The experimental methods were conducted according to the principles expressed in the Declaration of Helsinki
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