A novel concept of Q-markers: Molecular connectivity index.

BACKGROUND: Drugs derived from botany have been playing essential role in both clinical treatment and pharmaceutical industry, unfortunately our worry is still that its quality and therapeutic efficacy are inconsistent. Recently many scientists launched a new project on quality (Q)-marker of medicinal herbs, this study was thus designed to generate a novel concept of quality (Q)-markers: molecular connectivity index (MCI), and to test and verify the new concept of molecular connectivity index (MCI). METHODS: The first-order term (1χ) was selected to calculate and study quality (Q)-marker for TCM. Houttuynia cordata Thunb. (HCT) was adopted as a model to verify the hypothesis. Volatile oils of HCT were determined using gas chromatography-mass (GC-MS). SIMCA 13.0 and SPSS 21.0 were used to deal with the data. RESULTS: The minimum of the MCI values was 1.273, belonging to the peak 15, but the maximum (12.822) belonged to the peak 34, and the average value of fifty volatile oils was 5.798. The results demonstrated that MCI was the principle component, and monoterpenoid and sesquiterpenoid were also the principle components in oils. Fig. 2a shows peak 5, 24, 34 were the significant ingredients, while Fig. 2b shows peak 2, 5, 24 were the significant components. CONCLUSION: The data demonstrated that MCI was associated with the structure of molecules and the therapeutic efficacy, MCI could directly exhibit the relationship between ingredients and effectiveness of Traditional Chinese Medicine (TCM). So MCI could be a potential and promising parameter for quality (Q)-marker. Therefore, MCI may be developed as a novel potential concept to control the quality of TCM.

[Characteristics of supramolecular imprinting template on liver meridian tropism of traditional Chinese medicine based on molecular connectivity index].

The molecular connectivity index was adopted to explore the characteristics of supramolecular imprinting template of herbs distributed to liver meridian, in order to provide scientific basis for traditional Chinese medicines(TCMs) distributed to liver meridian. In this paper, with "12th five-year plan" national planning textbooks Science of Traditional Chinese Medicine and Chemistry of Traditional Chinese Medicine as the blueprint, literatures and TCMSP sub-databases in TCM pharmacology of northwest science and technology university of agriculture and forestry were retrieved to collect and summarize active constituents of TCM distributed to liver meridian, and calculate the molecular connectivity index. The average molecular connectivity index of ingredients distributed to liver meridian was 9.47, which was close to flavonoid glycosides' (9.17±2.11) and terpenes (9.30±3.62). Therefore, it is inferred that template molecule of liver meridian is similar to physicochemical property of flavonoid glycosides and terpenes, which could be best matched with imprinting template of liver meridian.

[Fingerprint analysis of Dipsacus asperoides by HPLC].

OBJECTIVE: To establish the HPLC fingerprints of Dipsacus asperoides for reflecting the internal information, evaluating its internal quality. METHODS: 20 batches of D. asperoides were collected from different place with the HPLC fingerprints method. Chromatographic column: Welchrom-C18 (250 mm x 4. 6 mm, 5 microm), mobile phase: acetonitrile and water (gradient elution), flow rate: 1.0 mL/min, detection wavelength: 212 nm, column temperature: 35 degrees C. RESULTS: The common mode of HPLC fingerprint was established and similar degrees to D. asperoides from different areas were compared. CONCLUSION: The method is stable, reliable, and with full information which can be used for quality evaluation, quality control item and crude drug identification of D. asperoides.

[Clinical observation on therapeutic effect of different acupuncture therapies on acute peripheral facial paralysis].

OBJECTIVE: To explore the better therapeutic method for acute peripheral facial paralysis. METHODS: One hundred and ninety-seven cases of acute peripheral facial paralysis were randomly divided into an observation group (n=125) and a control group (n=72). The observation group was treated by injection at acupoint combined with warming needle therapy at Yifeng (TE 17), Wangu (GB 12), Xiaguan (ST 7), Qianzheng (EX), and Taiyang (EX-HN 5). The control group was treated with electroacupuncture at Yifeng (TE 17), Yangbai (GB 14), Xiaguan (ST 7), etc. Their therapeutic effects were compared between the two groups. RESULTS: After three therapeutic courses, the cured rate and the total effective rate in the observation group were 76.0%, 100.0%, and 48.6%, 86.1% in the control group, respectively, with significant defferences between the two groups (all P < 0.01). CONCLUSION: Injection at acupoint combined with warming needle therapy could shorten the therapeutic cycle, improve the effectiveness, and decrease sequela in acute peripheral facial paralysis.