RESUMEN
Existing traditional Chinese medicine (TCM)-related databases are still insufficient in data standardization, integrity and precision, and need to be updated urgently. Herein, an Encyclopedia of Traditional Chinese Medicine version 2.0 (ETCM v2.0, http://www.tcmip.cn/ETCM2/front/#/) was constructed as the latest curated database hosting 48,442 TCM formulas recorded by ancient Chinese medical books, 9872 Chinese patent drugs, 2079 Chinese medicinal materials and 38,298 ingredients. To facilitate the mechanistic research and new drug discovery, we improved the target identification method based on a two-dimensional ligand similarity search module, which provides the confirmed and/or potential targets of each ingredient, as well as their binding activities. Importantly, five TCM formulas/Chinese patent drugs/herbs/ingredients with the highest Jaccard similarity scores to the submitted drugs are offered in ETCM v2.0, which may be of significance to identify prescriptions/herbs/ingredients with similar clinical efficacy, to summarize the rules of prescription use, and to find alternative drugs for endangered Chinese medicinal materials. Moreover, ETCM v2.0 provides an enhanced JavaScript-based network visualization tool for creating, modifying and exploring multi-scale biological networks. ETCM v2.0 may be a major data warehouse for the quality marker identification of TCMs, the TCM-derived drug discovery and repurposing, and the pharmacological mechanism investigation of TCMs against various human diseases.
RESUMEN
<p><b>OBJECTIVE</b>To study the anti-inflammatory and antioxidant effects of Petasites tricholobus and its phenolic components.</p><p><b>METHOD</b>Phenolic compounds were separated purified by column chromatographic methods such as macroporous resin D-101, silica gel, ODS, MCI GEL CHP 20P, Sephadex LH-20. Their structures were identified on the basis of physicochemical property and multiple spectral data.</p><p><b>RESULT</b>Nineteen phenolic compounds were separated from 95% ethanol extracts from P. tricholobus Franch. and identified as sulfonated benzyl glucoside (1), 3-(4beta-D-glucopyranosyloxy-3, 5-dimethoxy) -phenyl-2E-propenol (2), dihydrosyringin (3), tangshenosides II (4), 4-hydroxy-2,6-dimethoxyphenol-1-O-beta-D-glucopyranoside (5), 4-hydroxymethyl-2, 6-dimethoxyphenyl-1-O-beta-D-glucopyranoside (6), arbutin (7), rutin (8), kaempferol-3-O-alpha-L-rhamnopyranosyl-(1 --> 6)-beta-D-glucopyranoside (9), quercetin-3-O-beta-D-glucopyranoside (10), kaempferol-3-O-beta-D-glucopyranoside (11), afzelin (12), petasiphenol (13), caffeic acid (14), chlorogenic acid (15), 2-hydroxy-5-acetylbenzoic acid (16), p-hydroxy-benzoic acid (17), protocatechuic aldehyde (18) , and p-hydroxy-phenylpropionic acid (19).</p><p><b>CONCLUSION</b>Above result shows that phenolic compounds contained in P. tricholobus mainly include simple phenols, phenolic glycosides, coffee acid and flavonoid glycosides. Among them, compound 1 was separated from the composite family for the first time; compounds 2-7, 9, 11, 12, 16, 19 were separated from the genus Petasites for the first time, and the others were separated from the plant for the first time. These compounds have been proved to have pharmacological effects such as anti-inflammation, antibiosis, antioxidantion.</p>