Prediction of Radix Astragali immunomodulatory effects of CD80 expression on THP-1 cells from chemical chromatograms by Quantitative Pattern-Activity Relationship (QPAR)

Abstract

Event Abstract Back to Event Prediction of Radix Astragali immunomodulatory effects of CD80 expression on THP-1 cells from chemical chromatograms by Quantitative Pattern-Activity Relationship (QPAR) Chun-har Michelle Ng1, Tsui-yan Lau2, Kei Fan3, Qing-song Xu4, Foo-tim Chau2* and Man-yuen Daniel Sze1* 1 The Hong Kong Polytechnic University, Department of Health Technology and Informatics, Hong Kong, SAR China 2 The Hong Kong Polytechnic University, Department of Applied Biology and Chemical Technology, Hong Kong, SAR China 3 The University of Sydney, School of Information Technologies, Australia 4 Central South University, School of Mathematics and Statistics, China Our laboratory has previously shown that blood dendritic cells in cancer patients, particularly those in progressive phase, have reduced their CD80 costimulatory capacity. It is known that Chinese Herbal Medicines (CHM) such as Radix Astragali (RA) has a long history of clinical application for immunity enhancement. For quality control to ensure batch-to-batch consistency of CHM due to its complex mixture nature, single component as a representative marker is inadequate. In this Quantitative-Pattern-Associated-Relationship (QPAR) study, our aim is to build a chemometric-bioactivity-chemical predictive model for the CD80 expression due to RA on THP-1 cells. By correlating the chemical and biological data of 72 whole RA extracts, bioactivity of new RA extracts can be predicted by simply providing the chemical fingerprints. Using Elastic-Net-Partial-Least-Square algorithms, both chemical and biological data from 48 RA extracts as a training set were used to establish the CD80 bioactivity of RA predictive model. The remaining one-third (n = 24, test set) was used to validate the predictive power. This model gave a high statistical predictive quality (q2 = 0.92). More importantly, the regions on RA chromatographs with respect to their relative importance in contributing to the CD80 expressions were also identified. In this RA-QPAR study, we successfully explored and exploited the relationship between the chemical and biological fingerprints to successfully establish a predictive model; and revealed the features in the chromatographic profiles responsible for such bioactivities. This may bring novel insights into herbal vaccination-adjuvants preparation and may lead to correct the defective dendritic cell CD80 co-stimulatory capacity. References Chau FT, Chan HY, Cheung CY, Xu CJ, Liang Y, and Kvalheim OM. Recipe for uncovering the bioactive components in herbal medicine,” Analytical Chemistry. (2009) 81: 7217–7225. Keywords: Immunomodulatory effect, CD80, Quantitative Pattern-Activity Relationship (QPAR), Bioactivity predictive model, Chemical Fingerprint Conference: 15th International Congress of Immunology (ICI), Milan, Italy, 22 Aug - 27 Aug, 2013. Presentation Type: Abstract Topic: Translational immunology and immune intervention Citation: Ng C, Lau T, Fan K, Xu Q, Chau F and Sze M (2013). Prediction of Radix Astragali immunomodulatory effects of CD80 expression on THP-1 cells from chemical chromatograms by Quantitative Pattern-Activity Relationship (QPAR). Front. Immunol. Conference Abstract: 15th International Congress of Immunology (ICI). doi: 10.3389/conf.fimmu.2013.02.00971 Copyright: The abstracts in this collection have not been subject to any Frontiers peer review or checks, and are not endorsed by Frontiers. They are made available through the Frontiers publishing platform as a service to conference organizers and presenters. 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Received: 26 Jun 2013; Published Online: 22 Aug 2013. * Correspondence: Prof. Foo-tim Chau, The Hong Kong Polytechnic University, Department of Applied Biology and Chemical Technology, Hong Kong, Hong Kong, SAR China, foo-tim.chau@polyu.edu.hk Dr. Man-yuen Daniel Sze, The Hong Kong Polytechnic University, Department of Health Technology and Informatics, Hong Kong, Hong Kong, SAR China, daniel.sze@polyu.edu.hk Login Required This action requires you to be registered with Frontiers and logged in. To register or login click here. Abstract Info Abstract The Authors in Frontiers Chun-har Michelle Ng Tsui-yan Lau Kei Fan Qing-song Xu Foo-tim Chau Man-yuen Daniel Sze Google Chun-har Michelle Ng Tsui-yan Lau Kei Fan Qing-song Xu Foo-tim Chau Man-yuen Daniel Sze Google Scholar Chun-har Michelle Ng Tsui-yan Lau Kei Fan Qing-song Xu Foo-tim Chau Man-yuen Daniel Sze PubMed Chun-har Michelle Ng Tsui-yan Lau Kei Fan Qing-song Xu Foo-tim Chau Man-yuen Daniel Sze Related Article in Frontiers Google Scholar PubMed Abstract Close Back to top Javascript is disabled. Please enable Javascript in your browser settings in order to see all the content on this page.