Explicating the property and action of traditional Chinese medicine (TCM) in the perspectives of modern science deepens the insight into the property of TCM, and provides the basis for new drug discovery and clinical therapy. In this study, we investigated the relationship between transient receptor potential melastatin 8 (TRPM8) and pungent flavor using three-dimensional pharmacophores based on virtual screening methods.

Firstly, an inhouse database was established to identify the related pharmacological action according to the traditional Chinese herbs expressing an action of promoting blood circulation. Then, several therapeutic targets, 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoAR), cholesteryl ester transfer protein (CETP), Niemann-Pick C1-Like 1 (NPC1L1) and platelet-activating factor receptor (PAFR), were selected to screen traditional Chinese herbs, and the common virtual screening hits with various hit scores providing data to reveal the correlation among TRPM8 and therapeutic targets.

According to the screening results, TRPM8 agonists were able to identify the effective components of pungent herbs and TRPM8, which shares the common virtual screening hits with the therapeutic targets, was considered to be related to the action of pungent taste.

The novel ideas and methods in this study are beneficial to unveil the scientific relationship between a TCM property and its action.

Rapid discrimination of three classes of safflowers, dyed safflower, adulterated safflower, and pure safflower using computer vision and image processing algorithms.

A low cost computer vision system (CVS) was designed to measure the color of safflowers in the RGB (red, green, blue), L^∗a^∗b^∗, and HSV (hue, saturation, vale) color spaces. The color moments in these three color spaces were extracted from the acquired images as color features of safflower. In addition, five kinds of pigments that are commonly used to dye safflowers were identified by high-performance liquid chromatography as a reference. Pattern recognition methods were investigated for rapid discrimination, including an unsupervised principal component analysis (PCA) algorithm and a supervised partial least squares discriminant analysis (PLS-DA) algorithm.

The mean error (e) between color values measured with the colorimeter and calculated with the CVS was 2.4%, with a high correlation coefficient (r) of 0.9905. This result indicated that the established CVS was reliable for color estimation of safflowers. The PLS-DA model, which had a total accuracy of 91.89%, outperformed the PCA model in classifying pure, adulterated, and dyed safflowers.

The color objectification is a promising tool for rapid identification of dyed and adulterated safflowers.

In this study, safflower (Carthamus tinctorius L.) was taken as a representative example to examine the application of color characteristics to evaluate quality.

A computer vision system was established for the objective and nondestructive assessment of color using image processing algorithms. Color parameters were investigated based on the RGB, L*a*b and HSV color spaces. The content of hydroxysafflor yellow A (HSYA), a major bioactive constituent of safflower, was determined by high-performance liquid chromatography. The relationship between HSYA content and color values was investigated by Pearson correlation analysis. A multiple linear regression model was established to predict the HSYA content from color values.

The red color and lightness of safflower were found to be significantly related to HSYA content. The prediction equation obtained by multiple regression was reliable with an R² value of 0.805 (P <.01).

The results suggest that the computer vision technique could be used as a promising and non-destructive technology for color measurement and quality evaluation of CHM.

Used extensively to treat cardiovascular disease, Danqi analogous formulas (DQAF) include prescriptions for Danqi (DQ), Fufang Danshen (FFDS) and Qishen Yiqi (QSYQ). Differences in prescription compatibility result in varying emphases of DQAF in clinical application.

Based on network analysis in this study, common and distinct mechanisms of DQAF actions on cardiovascular disease were analyzed at a systemic level. Components–targets–pathways models were developed by Cytoscape (http://www.cytoscape.org/); whereby, target information for active compounds was obtained based on the PharmMapper database (http://59.78.96.61/pharmmapper/), which was further used to search pathways using the Kyoto Encyclopedia of Genes and Genomes database (http://www.genome.jp/kegg/). Based on target and network analyses, we discovered RBP4 is a potential common target of DQAF, while mitogen-activated protein kinase 1 (MAPK1) and glutathione S-transferase P were potential targets of FFDS and QSYQ, respectively. Furthermore, the potential of DQAF to treat cardiovascular disease occurs through effects on the endocrine, immune, and digestive systems, in addition to lipid, sugar and amino acid metabolic pathways. Whereas FFDS exhibits effects on Toll-like receptor, transforming growth factor beta and MAPK signaling pathways; QSYQ exerts effects on cyclic adenosine monophosphate signaling, as well as metabolism of glutathione and arachidonic acid.

This study not only reflects the formulas-effect modality of multiple compounds, targets and pathways, but also provides clues to better understand physiological mechanisms of DQAF.

This paper discusses the composition of prescription qualitative, quantitative design principles and methods based on herbal property combination, describing the method application in new prescription design.

Qualitative property-combination pattern (PP) calculation was based on bipartite graphing and performing a greedy algorithm which was designed to optimize obtaining a new herbal prescription. Quantitative PP calculation was based on the qualitative computation. To calculate the Euclidean distance for the PP of the new prescription, an optimized algorithm for solving the unknown minimum Euclidean distance was used with, the new weighted proportions. Finally, non-linear optimization software was used to find the minimum Euclidean distance.

Using the PP of classic prescription Large Yin-Nourishing Pill, applying quantitative PP calculation a new prescription was created. Mathematical algorithms based on property combinations of traditional Chinese herbs can be applied to identify compatibility and synergies of herbs within prescriptions, especially classic formulas.

In silico methods can then be used to create new prescriptions or modify existing ones depending on need. This type of automated approach may increase efficiency in designing new drugs based on Chinese herbs.

In this study, the property combinations (PCs) of single herbs, two-herb combinations, and multi-herb prescriptions were studied to determine that the property-combination patterns will be associated with these three levels.

By calculating the prescription PC weight, we analyzed the PCs of the single herb coptis rhizome, the two-herb combination of coptis rhizome and scutellaria root, and the classic prescriptions Coptis Decoction to Resolve Toxicity, White Tiger Decoction to Resolve Toxicity, and Peony Decoction, all three of which contain coptis and scutellaria.

Calculated results show that cold-bitter-lung, cold-bitter-heart, and cold-bitter-stomach are present in both Coptis Decoction and White Tiger Decoction and have the highest PC weights. The weights of coptis and scutellaria in Peony Decoction differs from in their weights in Coptis Decoction and White Tiger Decoction, in that the PCs of highest weights in Peony Decoction are cold-bitter-spleen, cold-bitter-liver, cold-bitter-large intestine, cold-sour-liver, and cold-sour-spleen.

This novel method for exploring the properties and compatibilities of traditional Chinese herbs helps validate the combination theories of herbs. Application of this method may be valuable in designing new efficacious herbal prescriptions.