This paper provides a review of the most recent works in machine olfaction as applied to the identification of Chinese Herbal Medicines (CHMs). Due to the wide variety of CHMs, the complexity of growing sources and the diverse specifications of herb components, the quality control of CHMs is a challenging issue. Much research has demonstrated that an electronic nose (E-nose) as an advanced machine olfaction system, can overcome this challenge through identification of the complex odors of CHMs. E-nose technology, with better usability, high sensitivity, real-time detection and non-destructive features has shown better performance in comparison with other analytical techniques such as gas chromatography-mass spectrometry (GC-MS). Although there has been immense development of E-nose techniques in other applications, there are limited reports on the application of E-noses for the quality control of CHMs. The aim of current study is to review practical implementation and advantages of E-noses for robust and effective odor identification of CHMs. It covers the use of E-nose technology to study the effects of growing regions, identification methods, production procedures and storage time on CHMs. Moreover, the challenges and applications of E-nose for CHM identification are investigated. Based on the advancement in E-nose technology, odor may become a new quantitative index for quality control of CHMs and drug discovery. It was also found that more research could be done in the area of odor standardization and odor reproduction for remote sensing.
Background: Alpinia officinarum Hance is both an herbal medicine and a condiment, and generally has different cultivars such as Zhutou galangal and Fengwo galangal. The appearance of these A. officinarum cultivars is similar, but their chemical composition and quality are different. It is therefore important to discriminate between different A. officinarum plants to ensure the consistency of the efficacy of the medicine. Therefore, we used an electronic nose (E-nose) to explore the differences in odor information between the two cultivars for fast and robust discrimination. Methods: Odor and volatile components of all A. officinarum samples were detected by the E-nose and gas chromatography-mass spectrometry (GC-MS), respectively. The E-nose sensors and GC-MS data were analyzed respectively by principal component analysis (PCA), the correlation between E-nose sensors and GC-MS data were analyzed by partial least squares (PLS). Results: It was found that Zhutou galangal and Fengwo galangal can be discriminated by combining the E-nose with PCA, and the E-nose sensors S2, S6, S7, S9 were important sensors for distinguishing different cultivars of A. officinarum. A total of 56 volatile components of A. officinarum were identified by the GC-MS analysis, and the composition and content of the volatile components from the two different A. officinarum cultivars were different, in particular the relative contents of 1,8-cineole and α-farnesene. The classification result by PCA analysis based on GC-MS data was consistent with the E-nose results. The PLS analysis demonstrated that the volatile terpene, alcohol and ester components primarily interacted with the sensors S2 and S7, indicating that particular E-nose sensors were highly correlated with some aroma constituents. Conclusions: Combined with advanced chemometrics, the E-nose detection technology can discriminate two cultivars of A. officinarum, with GC-MS providing support to determine the material basis of the E-nose sensors’ response.
24 January 2017 in Chinese Journal of Integrative Medicine
Objective: To screen the bioactivity of phthalazinone derivatives for AD treatment and investigate the potential pharmacological mechanism, the network pharmacology analysis and molecular docking were adopted in this study.Methods: Those phthalazinone derivatives with certain structures and physical properties were screened out by Pubchem database in this study. Besides, to explore the potential activity of these phthalazinone derivatives as drugs for AD treatment, network pharmacology study was employed, including targets prediction, gene enrichment analysis and network analysis. Network analysis of AD approved drugs and molecular docking studies were also adopted to further investigate drug-likeness of phthalazinone derivatives for AD treatment.Results: Five compounds and 57 common targets were recognized and adopted to the construction of compounds-targets network. 15 approved drugs with clear indication for AD were figured out, with 57 associated targets that originated from Homo sapiens. The KEGG enrichment analysis showed that phthalazinone derivatives and approved drugs shared the same essential pathway (neuroactive ligand-receptor interaction) and other important pathways with associated targets. The result of molecular docking indicated that these phthalazinone derivatives could interact with essential targets stably.Conclusion: In silico analysis suggested that these derivatives are probable to be effective for the treatment of AD by interacting with the essential targets and initiating ATP binding, signal transduction, finally regulating neuroactive ligand-receptor interaction pathway、calcium signaling pathway , and so on.