Network Pharmacology-Based Strategy for Elucidating the Molecular Basis Forthe Pharmacologic Effects of Licorice (Glycyrrhiza spp.).

Licorice (Glycyrrhiza spp.) is used widely in traditional Chinese medicine (TCM) due to its numerous pharmacologic effects. However, the mechanisms of action of the chemical constituents of licorice and their structure-function relationships are not fully understood. To address these points, we analyzed the chemical compounds in licorice listed in the TCM Systems Pharmacology database and TCM Integrated database. Target proteins of the compounds were predicted using Integrative Pharmacology-based Research Platform of TCM v2.0. Information on the pharmacologic effects of licorice was obtained from the 2020 Chinese Pharmacopoeia, and disease-related genes that have been linked to these effects were identified from the Encyclopedia of TCM database. Pathway analyses using the Kyoto Encyclopedia of Genes and Genomes database were carried out for target proteins, and pharmacologic networks were constructed based on drug target-disease-related gene and protein-protein interactions. A total of 451 compounds were analyzed, of which 211 were from the medicinal parts of the licorice plant. The 241 putative targets of 106 bioactive compounds in licorice comprised 52 flavonoids, 47 triterpenoids, and seven coumarins. Four distinct pharmacologic effects of licorice were defined: 61 major hubs were the putative targets of 23 compounds in heat-clearing and detoxifying effects; 68 were targets of six compounds in spleen-invigorating and qi-replenishing effects; 28 were targets of six compounds in phlegm-expulsion and cough-suppressant effects; 25 compounds were targets of six compounds in spasm-relieving and analgesic effects. The major bioactive compounds of licorice were identified by ultra-high-performance liquid chromatography-quadrupole time-of-flight-tandem mass spectrometry. The anti-inflammatory properties of liquiritin apioside, liquiritigenin, glycyrrhizic acid and isoliquiritin apioside were demonstrated by enzyme-linked immunosorbent assay (ELISA) and Western blot analysis. Liquiritin apioside, liquiritigenin, isoliquiritin, isoliquiritin apioside, kaempferol, and kumatakenin were the main active flavonoids, and 18α- and 18ß-glycyrrhetinic acid were the main active triterpenoids of licorice. The former were associated with heat-clearing and detoxifying effects, whereas the latter were implicated in the other three pharmacologic effects. Thus, the compounds in licorice have distinct pharmacologic effects according to their chemical structure. These results provide a reference for investigating the potential of licorice in treatment of various diseases.

Identification of Calculus Bovis and its mixed varieties by ultra-high-performance liquid chromatography/quadrupole time-of-flight mass spectrometry (UHPLC-Q/TOF-MS) combined with the principal component analysis (PCA) method.

The method of ultra-high-performance liquid chromatography/quadrupole time-of-flight mass spectrometry (UHPLC-Q/TOF-MS) was established and combined with principal component analysis (PCA) to identify natural Calculus Bovis, in vitro cultured Calculus Bovis and artificial Calculus Bovis. PCA, which was particularly powerful in dealing with multicollinearity and variables that outnumber the samples, was used to analyze the UHPLC-MS data of the processed samples, and potential markers were analyzed and described based on orthogonal partial least-squares discriminant analysis. According to the results in this study, the approach of combining UHPLC-QTOF-MS with PCA was proven to be credible and could be used to identify Calculus Bovis from in vitro cultured Calculus Bovis and artificial Calculus Bovis and to determine if there is Calculus Bovis in patented Chinese medicines that should contained Calculus Bovis medicinal materials.

[Application of microscopic spectroscopy in quality control of Niuhuang Qingxin pills].

Application of microscopic spectroscopy in quality control of Niuhuang Qingxin pills was discussed. First, microscopic characteristics specified by the statutory standard of Niuhuang Qingxin pills were summarized. Then new identification method was established for Dioscoreae Rhizoma, Saigae Tataricae Cornu, Cinnamomi Cortex and Saposhnikoviae Radix. Finally, microscopic spectroscopy was used for test of Dioscoreae Rhizoma's adulterant Dioscoreae Fordii Rhizoma.It was the first time for this technology being applied in adulteration test of Chinese patent medicine.The results showed that Saigae Tataricae Cornu was not detected in 2 batches of Niuhuang Qingxin pills from 1 manufacturer while Dioscoreae Fordii Rhizoma was detected in 3 batches of samples from 2 manufacturers. The proposed methods were accurate, simple, rapid, objective and economic, which offered a more comprehensive approach for quality control of Niuhuang Qingxin pills. It was indicated that conventional technology such as microscopic spectroscopy could play an important role in identification of traditional Chinese medicine whose index ingredient was deficient or tiny.

[Identication of pearl powder and conch powder from different origins by differential scanning calorimetry].

The paper is aimed to establish a methods for identication of pearl powder and conch powder from different origins. Hermetic aluminum pan was used to encapsulate samples. The optimal testing conditions were: heating rate 10 degrees C x min(-1), sample weight 3 mg and nitrogen gas flow rate 40 mL x min(-1). The enthalpy values of pearl powder and conch powder was obvious different. Identication of pearl powder and conch powder by DSC is a practical method for its accuracy, convenience and practificality.

[Isolation and structure elucidation of chemical constituents from Pinellia ternata].

OBJECTIVE: To isolate and identify the chemical constituents of ethanol extract of Pinellia ternata. METHODS: The constituents were isolated by silica-gel, Sephadex LH-20 chromatography and HPLC techniques. The structures were identified by spectroscopic analysis including 2D NMR techniques and chemical properties. RESULTS: Nine compounds were obtained and identified as uridine (1), 5'-S-methyl-5'-thioadenosine (2), adenine (3), chrysophanol (4), 5-hydroxymethylfurfural (5), nicotinamide (6), (2S)-1-O-(9Z, 12Z-octadecadienoyl)-3-O-beta-galactopyranosylglycerol (7), daucosterol (8), beta-sitosterol (9). CONCLUSION: Compounds 2, 6, 7 are isolated from this plant for the first time.

A new sesquiterpene lactone from Sarcandra glabra.

A new eudesmanolide sesquiterpene, atractylenolide IV (1), together with seven known compounds were isolated from the 70% aqueous acetonic extract of the whole plant of Sarcandra glabra (Chloranthaceae). Their structures were established by spectral analysis, mainly UV, IR, HRESI-MS, 1D and 2D-NMR experiments (HSQC, HMBC and NOESY). Compounds 1-4 showed no remarkable cytotoxic activity against Hela, HCT-8 and MCF-7 cancer cell lines with IC50 > 50 µg mL(-1).

[Study on chemical constituents of Carthamus tinctorius].

OBJECTIVE: To investigate the chemical constituents in water-soluble fraction of Carthamus tinctorius. METHODS: Compounds were isolated and purified by macroporus resin, silica gel, Sephadex LH-20 column chromatography and preparative HPLC. The structures were identified by spectral analysis. RESULTS: Twelve compounds were isolated and identified as 4-Hydroxybenzaldehyde (1); E-1-(4'-hydroxypheny) -but-1-en-3-one (2); 3-Formylindole (3); 2-Acetyl-5-hydroxymethylfuran (4); p-Hydroxycinnamic acid (5); (6R, 7E, 9R) -9-hydroxy-4,7-megastigmandien-3-one (6); 4-hydroxyacetophenone (7); 5-(hydroxymethyl) -2-furaldehyde (8); 4-Hydroxybenzoic acid (9); Stigmasterol-3-O-beta-D-glucopyranoside (10); Daucosterol (11); beta-sitosterol (12). CONCLUSION: Compounds 1 - 4, 6, 7, 10 are isolated from this plant for the first time.

Three novel sesquiterpene glycosides of Sarcandra glabra.

Three new sesquiterpene glycosides, 8 beta,9 beta-epoxy-4 alpha-hydroxy-5 alpha H-lindan-7(11)-en-8 alpha,12-olide-15-O-beta-D-glucopyranoside (1, sarcaglaboside F), 4 alpha-hydroxy-5 alpha,8 beta H-lindan-7(11)-en-8 alpha,12-olide-15-O-beta-D-glucopyranoside (2, sarcaglaboside G), 4 alpha-hydroxy-5 alpha,8 beta H-eudesman-7(11)-en-8 alpha,12-olide-15-O-beta-D-glucopyranoside (3, sarcaglaboside H), together with five known compounds, chloranoside A (4), sarcaglaboside C (5), dihydrovomifoliol-O-beta-D-glucopyranoside (6), 9-hydroxy-heterogorgiolide (7) and chloranthalactone B (8), were isolated from Sarcandra glabra THUMB. NAKAI. The structures and relative configurations of three new compounds were determined on the basis of their spectroscopic data and chemical evidence.

[Review of studies on active components of antitumor medicinal plants].

This paper summarizes the current research on chemical structure, pharmacology and structure-activity relationship of antitumor constituents, including quinoline and indole alkaloids, stilbenoids, diterpenes, pentacyclic triterpenes, flavones, lactones, amyloses, proteins et al, of chinese herbal. The prospect of studies of antitumor medicinal plants is discussed.

[Studies on chemical constituents of Sarcandra glabra].

OBJECTIVE: To study antibacterial chemical constituents of Sarcandra glabra. METHOD: The constituents of the chloroform and EtOAc-soluble portions of the EtOH extract from the whole plant of S. glabra, which posses the antibacterial activities, were isolated and purified with column chromatography. The compounds were identified by physical and spectroscopic techniques. RESULT: Six compounds were isolated and identified as 4, 4'-biisofraxidin (1), esculetin (2), fraxetin (3), scoparone (4), isofraxidin (5), scopoletin(6), respectively. CONCLUSION: Compound 1 is a novel natural product. Compounds 24 were isolated from the plants of Chloranthaceae for the first time. The antibacterial activities of these six compounds were tested for the first time. Some compounds may have potential for future study and development as plant-derived oral antibacterial agents.