Identifying bioactive components in natural products through chromatographic fingerprint

Jian Xu; Qing Song Xu; Chi On Chan; Kam Wah Mok; Lun Zhao Yi; Foo Tim Chau

doi:10.1016/j.aca.2015.02.030

Identifying bioactive components in natural products through chromatographic fingerprint

Jian Xu, Qing Song Xu, Chi On Chan, Kam Wah Mok, Lun Zhao Yi, Foo Tim Chau

Research output: Journal article publication › Journal article › Academic research › peer-review

18 Citations (Scopus)

Abstract

Bioactive component identification is a crucial issue in search for new drug leads. We provide a new strategy to search for bioactive components based on Sure Independence Screening (SIS) and interval PLS (iPLS). The method, which is termed as SIS-iPLS, is not only able to find out the chief bioactive components, but also able to judge how many components should be there responsible for the total bioactivity. The method is totally "data-driven" with no need for prior knowledge about the unknown mixture analyzed, therefore especially suitable for effect-directed work like bioassay-guided fractionation. Two data sets, a synthetic mixture system of twelve components and a suite of Radix Puerariae Lobatae extracts samples, are used to test the identification ability of the SIS-iPLS method.

Original language	English
Pages (from-to)	45-55
Number of pages	11
Journal	Analytica Chimica Acta
Volume	870
Issue number	1
DOIs	https://doi.org/10.1016/j.aca.2015.02.030
Publication status	Published - 1 Jan 2015

Keywords

Bioassay-guided fractionation
Herbal medicine
Interval partial least squares regression
Quantitative pattern-activity relationship
Sure Independence Screening

ASJC Scopus subject areas

Analytical Chemistry
Biochemistry
Environmental Chemistry
Spectroscopy

More information

10.1016/j.aca.2015.02.030

Cite this

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abstract = "Bioactive component identification is a crucial issue in search for new drug leads. We provide a new strategy to search for bioactive components based on Sure Independence Screening (SIS) and interval PLS (iPLS). The method, which is termed as SIS-iPLS, is not only able to find out the chief bioactive components, but also able to judge how many components should be there responsible for the total bioactivity. The method is totally {"}data-driven{"} with no need for prior knowledge about the unknown mixture analyzed, therefore especially suitable for effect-directed work like bioassay-guided fractionation. Two data sets, a synthetic mixture system of twelve components and a suite of Radix Puerariae Lobatae extracts samples, are used to test the identification ability of the SIS-iPLS method.",

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author = "Jian Xu and Xu, {Qing Song} and Chan, {Chi On} and Mok, {Kam Wah} and Yi, {Lun Zhao} and Chau, {Foo Tim}",

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AU - Xu, Qing Song

AU - Chan, Chi On

AU - Mok, Kam Wah

AU - Yi, Lun Zhao

AU - Chau, Foo Tim

PY - 2015/1/1

Y1 - 2015/1/1

N2 - Bioactive component identification is a crucial issue in search for new drug leads. We provide a new strategy to search for bioactive components based on Sure Independence Screening (SIS) and interval PLS (iPLS). The method, which is termed as SIS-iPLS, is not only able to find out the chief bioactive components, but also able to judge how many components should be there responsible for the total bioactivity. The method is totally "data-driven" with no need for prior knowledge about the unknown mixture analyzed, therefore especially suitable for effect-directed work like bioassay-guided fractionation. Two data sets, a synthetic mixture system of twelve components and a suite of Radix Puerariae Lobatae extracts samples, are used to test the identification ability of the SIS-iPLS method.

AB - Bioactive component identification is a crucial issue in search for new drug leads. We provide a new strategy to search for bioactive components based on Sure Independence Screening (SIS) and interval PLS (iPLS). The method, which is termed as SIS-iPLS, is not only able to find out the chief bioactive components, but also able to judge how many components should be there responsible for the total bioactivity. The method is totally "data-driven" with no need for prior knowledge about the unknown mixture analyzed, therefore especially suitable for effect-directed work like bioassay-guided fractionation. Two data sets, a synthetic mixture system of twelve components and a suite of Radix Puerariae Lobatae extracts samples, are used to test the identification ability of the SIS-iPLS method.

KW - Bioassay-guided fractionation

KW - Herbal medicine

KW - Interval partial least squares regression

KW - Quantitative pattern-activity relationship

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Identifying bioactive components in natural products through chromatographic fingerprint

Abstract

Keywords

ASJC Scopus subject areas

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