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

Lian Huang, Hiroyuki Fuchino, Nobuo Kawahara, Yuuji Narukawa, Noriyasu Hada, Fumiyuki Kiuchi

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)1-9
Number of pages9
JournalJournal of Natural Medicines
DOIs
Publication statusAccepted/In press - 2016 May 10

Fingerprint

Scutellaria
Principal Component Analysis
Dinoprostone
Flavonoids
Principal component analysis
Screening
Scutellaria baicalensis
Macrophages
High performance liquid chromatography
Biological Products
High Pressure Liquid Chromatography
Cells
Cell Line

Keywords

  • Flavonoid
  • OPLS
  • PCA
  • PGE
  • Scutellaria baicalensis

ASJC Scopus subject areas

  • Complementary and alternative medicine
  • Organic Chemistry
  • Drug Discovery
  • Pharmaceutical Science

Cite this

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title = "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",
abstract = "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.",
keywords = "Flavonoid, OPLS, PCA, PGE, Scutellaria baicalensis",
author = "Lian Huang and Hiroyuki Fuchino and Nobuo Kawahara and Yuuji Narukawa and Noriyasu Hada and Fumiyuki Kiuchi",
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T1 - 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

AU - Huang, Lian

AU - Fuchino, Hiroyuki

AU - Kawahara, Nobuo

AU - Narukawa, Yuuji

AU - Hada, Noriyasu

AU - Kiuchi, Fumiyuki

PY - 2016/5/10

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