Use of principal component analysis and a spectral mapping technique for the evaluation of the antifungal activity of anthracene-based synthetic dyes

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

The antifungal activity of 14 anthracene-based synthetic dyes and 6 reference compounds was measured on 36 fungal strains and the data matrix was evaluated separately by principal component analysis (PCA) and using a spectral mapping technique (SPM). The dimensionality of the maps of principal component loadings and variables and the selectivity maps was reduced to two by non-linear mapping. Except for two compounds, the dyes showed marked antifungal activity. Calculations proved that both the strength and selectivity of the biological effect of anthracene-based dyes were highly dependent on the chemical structure of the dye and on the type of fungi. PCA and SPM revealed different aspects of the antifungal activity, therefore, their simultaneous application in future quantitative structure-activity relationship studies is highly recommended.

Original languageEnglish
Pages (from-to)379-391
Number of pages13
JournalSAR and QSAR in Environmental Research
Volume20
Issue number3-4
DOIs
Publication statusPublished - 2009

Fingerprint

Anthracene
Principal Component Analysis
Principal component analysis
Coloring Agents
Dyes
Quantitative Structure-Activity Relationship
Fungi
anthracene

Keywords

  • Anthracene dyes
  • Antifungal activity
  • Non-linear mapping
  • Principal component analysis
  • Spectral mapping technique

ASJC Scopus subject areas

  • Molecular Medicine
  • Bioengineering
  • Drug Discovery

Cite this

@article{568409d2fca8440fb9db04ad82cc250e,
title = "Use of principal component analysis and a spectral mapping technique for the evaluation of the antifungal activity of anthracene-based synthetic dyes",
abstract = "The antifungal activity of 14 anthracene-based synthetic dyes and 6 reference compounds was measured on 36 fungal strains and the data matrix was evaluated separately by principal component analysis (PCA) and using a spectral mapping technique (SPM). The dimensionality of the maps of principal component loadings and variables and the selectivity maps was reduced to two by non-linear mapping. Except for two compounds, the dyes showed marked antifungal activity. Calculations proved that both the strength and selectivity of the biological effect of anthracene-based dyes were highly dependent on the chemical structure of the dye and on the type of fungi. PCA and SPM revealed different aspects of the antifungal activity, therefore, their simultaneous application in future quantitative structure-activity relationship studies is highly recommended.",
keywords = "Anthracene dyes, Antifungal activity, Non-linear mapping, Principal component analysis, Spectral mapping technique",
author = "G. Oros and T. Cserh{\'a}ti",
year = "2009",
doi = "10.1080/10629360902949211",
language = "English",
volume = "20",
pages = "379--391",
journal = "SAR and QSAR in Environmental Research",
issn = "1062-936X",
publisher = "Taylor and Francis Ltd.",
number = "3-4",

}

TY - JOUR

T1 - Use of principal component analysis and a spectral mapping technique for the evaluation of the antifungal activity of anthracene-based synthetic dyes

AU - Oros, G.

AU - Cserháti, T.

PY - 2009

Y1 - 2009

N2 - The antifungal activity of 14 anthracene-based synthetic dyes and 6 reference compounds was measured on 36 fungal strains and the data matrix was evaluated separately by principal component analysis (PCA) and using a spectral mapping technique (SPM). The dimensionality of the maps of principal component loadings and variables and the selectivity maps was reduced to two by non-linear mapping. Except for two compounds, the dyes showed marked antifungal activity. Calculations proved that both the strength and selectivity of the biological effect of anthracene-based dyes were highly dependent on the chemical structure of the dye and on the type of fungi. PCA and SPM revealed different aspects of the antifungal activity, therefore, their simultaneous application in future quantitative structure-activity relationship studies is highly recommended.

AB - The antifungal activity of 14 anthracene-based synthetic dyes and 6 reference compounds was measured on 36 fungal strains and the data matrix was evaluated separately by principal component analysis (PCA) and using a spectral mapping technique (SPM). The dimensionality of the maps of principal component loadings and variables and the selectivity maps was reduced to two by non-linear mapping. Except for two compounds, the dyes showed marked antifungal activity. Calculations proved that both the strength and selectivity of the biological effect of anthracene-based dyes were highly dependent on the chemical structure of the dye and on the type of fungi. PCA and SPM revealed different aspects of the antifungal activity, therefore, their simultaneous application in future quantitative structure-activity relationship studies is highly recommended.

KW - Anthracene dyes

KW - Antifungal activity

KW - Non-linear mapping

KW - Principal component analysis

KW - Spectral mapping technique

UR - http://www.scopus.com/inward/record.url?scp=67949106595&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=67949106595&partnerID=8YFLogxK

U2 - 10.1080/10629360902949211

DO - 10.1080/10629360902949211

M3 - Article

C2 - 19544197

AN - SCOPUS:67949106595

VL - 20

SP - 379

EP - 391

JO - SAR and QSAR in Environmental Research

JF - SAR and QSAR in Environmental Research

SN - 1062-936X

IS - 3-4

ER -