Traditional Chinese medicine extraction method by ethanol delivers drug-like molecules

Traditional Chinese Medicine(TCM)is an important reservoir for bioactive natural products.TCM extraction methods by water decoction and wine tincture are an integral part of TCM and essential for their widely acknowledged efficacy.In this study,we selected 6 common TCMs that are rich in chemistry to investigate whether the TCM extraction methods deliver molecules with drug-like physical chemical properties.Six TCM herbal materials were extracted by water,95%ethanol,and sequential hexane,d ichloromethane and methanol.The extracts were analyzed by HPLC and^1H NMR.Isolation on one of the extracts yielded 32 compounds,their physical chemical properties were analyzed by Instant JChem.Our results showed that ethanol extraction,which mimics TCM wine tincture,delivered compounds with physical chemical properties compliant to Lipinski’s rule of 5.

Discovery of tanshinone derivatives with anti-MRSA activity via targeted bio-transformation

Two potent anti-MRSA tanshinone glycosides(1 and 2)were discovered by targeted microbial biotransformation,along with rapid identification via MS/MS networking.Serial reactions including dehydrogenation,demethylations,reduction,glycosylation and methylation have been observed after incubation of tanshinone IIA and fungus Mucor rouxianus AS 3.3447.In addition,tanshinosides B(2)showed potent activities against serial clinical isolates of oxacillin-resistant Staphylococcus aureus with MIC values of 0.78 mg/mL.This is the first study that shows a significant increase in the level and activities of tanshinone glycosides relative to the substrate tanshinone IIA.

A systems approach using OSMAC,Log P and NMR fingerprinting:An approach to novelty

The growing number of sequenced microbial genomes has revealed a remarkably large number of secondary metabolite biosynthetic clusters for which the compounds are still unknown.The aim of the present work was to apply a strategy to detect newly induced natural products by cultivating microorganisms in different fermentation conditions.The metabolomic analysis of 4160 fractions generated from 13 actinomycetes under 32 different culture conditions was carried out by 1H NMR spectroscopy and multivariate analysis.The principal component analysis(PCA)of the 1H NMR spectra showed a clear discrimination between those samples within PC1 and PC2.The fractions with induced metabolites that are only produced under specific growth conditions was identified by PCA analysis.This method allows an efficient differentiation within a large dataset with only one fractionation step.This work demonstrates the potential of NMR spectroscopy in combination with metabolomic data analysis for the screening of large sets of fractions.