Application of a new method, orthogonal projection to latent structure (OPLS) combined with principal component analysis (PCA), to screening of prostaglandin E2 production inhibitory flavonoids in Scutellaria Root
- 366 Downloads
A new method consisting of orthogonal projection to latent structure (OPLS) and modified principal component analysis (PCA) was applied to a screening of bioactive compounds from natural products. In this report, extracts of 52 Scutellaria Root (the root of Scutellaria baicalensis Georgi) samples were analyzed by high-performance liquid chromatography (HPLC), and their inhibitory activities towards prostaglandin E2 (PGE2) production in a murine macrophage-like cell line J774.1 were examined. Wogonin and oroxylin A were predicted to be strong inhibitors of PGE2 production by OPLS analysis of the data. However, 6-methoxywogonin, which has been reported to have inhibitory activity, was omitted. Modified PCA was then applied to these data as a filter to exclude compounds less relevant to the activity, and OPLS analysis was applied to the modified data. As a result, this method predicted wogonin, oroxylin A and 6-methoxywogonin to be strong inhibitors of PGE2 production without any prior knowledge. The predictions by the OPLS combined with PCA method of PGE2 production inhibitory activities of 52 samples showed good agreement with the actual data. This method is simple and effective and can be used in screening of bioactive natural compounds without any prior knowledge.
KeywordsScutellaria baicalensis OPLS PCA PGE2 Flavonoid
This work was supported in part by MEXT-Supported Program for the Strategic Research Foundation at Private Universities and JSPS Grant-in-Aid for Scientific Research (C).
- 3.Frei E 3rd, Franzino A, Shnider BI, Costa G, Golsky J, Brindley CO, Hosley H, Holland JF, Gold GL, Jonsson U (1961) Clinical studies of vinblastine. Cancer Chemother Rep Part 1(12):125–129Google Scholar
- 5.Daikonya A, Fuchino H, Arai R, Takahashi Y, Wada H, Goda Y, Kawahara N (2013) Inhibitory effect of Scutellariae Radix (Scutellaria baicalensis Georgi) From the Japanese market on nitric oxide production, and metabolome analysis based on LC/MS. Shoyakugaku Zasshi 67:35–40Google Scholar
- 7.Li HJ, Wang ZH, Li WT, Wang DM, Zheng SH, Huang LF (2015) Analysis of variation of chemical composition of Tussilago farfara by UPLC-Q-TOF/MS before and after fried with honey. Zhongguo Yaofang 26:792–794Google Scholar
- 9.Daikonya A, Fuchino H (2014) Inhibitory effect of crude drugs on nitric oxide production and metabolome analysis based on LC/MS. Saibou 46:140–145Google Scholar
- 12.Zhou H J (1993) Ben Cao Jing Ji Zhu; 340Google Scholar
- 14.Zhang DY, Wu J (2003) Inhibition of cancer cell proliferation and prostaglandin E2 synthesis by Scutellaria baicalensis. Cancer Res 63:403–407Google Scholar
- 19.Na L, Ying G, Yun L, Yan C, Yong Y, Hongyan G, Qi Q, Wei L, Xiaotang W, Qidong Y (2008) Wogonin suppresses tumor growth in vivo and VEGF-induced angiogenesis through inhibiting tyrosine phosphorylation of VEGFR2. Life Sci 82:17–18Google Scholar
- 21.Takano-Ishikawa Y, Goto M, Yamaki K (2006) Structure-activity relations of inhibitory effects of various flavonoids on lipopolysaccharide-induced prostaglandin E2 production in rat peritoneal macrophages: comparison between subclasses of flavonoids. Phytomedicine 13:310–317CrossRefPubMedGoogle Scholar
- 22.Michael CA, Dominic AS, Anne M, Miriam LH, Maciej JC, Donald LF, Betty JA, Joseph GM, Robert HS, Michael RB (1988) Feasibility of drug screening with panels of human tumor cell lines using a microculture tetrazolium assy. Cancer Res 48:589–601Google Scholar
- 23.Wiklund S (2008) Multivariate Data Analysis for Omics. http://metabolomics.se/Courses/MVA/MVA%20in%20Omics_Handouts_Exercises_Solutions_Thu-Fri.pdf