Statistical analysis of the impact of molecular descriptors on antimicrobial activity of thiourea derivatives incorporating 3-amino-1,2,4-triazole scaffold

Anna Filipowska; Wojciech Filipowski; Ewaryst Tkacz; Monika Wujec

doi:10.1007/978-3-319-70063-2_19

Statistical analysis of the impact of molecular descriptors on antimicrobial activity of thiourea derivatives incorporating 3-amino-1,2,4-triazole scaffold

Anna Filipowska
, Wojciech Filipowski
, Ewaryst Tkacz
, Monika Wujec

Medical University of Lublin

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

2 Citations (Scopus)

Abstract

The paper contains results of statistical and chemometric analysis for 15 thiourea derivatives containing the 3-amino-1,2,4-triazole moiety and characterized by antimicrobial activity against Staphylococcus aureus (NCTC 4163, ATCC 25923, ATCC 6538, ATCC 29213), Staphylococcus epidermidis (ATCC 12228) bacteria, as well as by low cytotoxicity (or lack thereof) against infected MT-4 cells. Multiple regression and cluster analysis were employed to perform the study. The research enabled obtaining linear relationships connected with three molecular descriptors SA, η, logP. The conducted chemometric analyses indicate that the increase in activity against the studied strains is closely related to the type and position of substituent in a phenyl ring.

Original language	English
Title of host publication	Innovations in Biomedical Engineering
Editors	Marek Gzik, Zbigniew Paszenda, Ewaryst Tkacz, Ewa Pietka
Publisher	Springer Verlag
Pages	171-184
Number of pages	14
ISBN (Print)	9783319700625
DOIs	https://doi.org/10.1007/978-3-319-70063-2_19
Publication status	Published - 2018
Event	Conference on Innovations in Biomedical Engineering, IBE 2017 - Zabrze, Poland Duration: 19 Oct 2017 → 20 Oct 2017

Publication series

Name	Advances in Intelligent Systems and Computing
Volume	623
ISSN (Print)	2194-5357

Conference

Conference	Conference on Innovations in Biomedical Engineering, IBE 2017
Country/Territory	Poland
City	Zabrze
Period	19/10/17 → 20/10/17

Keywords

3-amino-1,2,4-triazole
Antimicrobial activity
Cluster analysis
Statistical analysis
Thiourea derivatives

ASJC Scopus subject areas

Control and Systems Engineering
General Computer Science

Access to Document

10.1007/978-3-319-70063-2_19

Cite this

Filipowska, A., Filipowski, W., Tkacz, E., & Wujec, M. (2018). Statistical analysis of the impact of molecular descriptors on antimicrobial activity of thiourea derivatives incorporating 3-amino-1,2,4-triazole scaffold. In M. Gzik, Z. Paszenda, E. Tkacz, & E. Pietka (Eds.), Innovations in Biomedical Engineering (pp. 171-184). (Advances in Intelligent Systems and Computing; Vol. 623). Springer Verlag. https://doi.org/10.1007/978-3-319-70063-2_19

Filipowska, Anna ; Filipowski, Wojciech ; Tkacz, Ewaryst et al. / Statistical analysis of the impact of molecular descriptors on antimicrobial activity of thiourea derivatives incorporating 3-amino-1,2,4-triazole scaffold. Innovations in Biomedical Engineering. editor / Marek Gzik ; Zbigniew Paszenda ; Ewaryst Tkacz ; Ewa Pietka. Springer Verlag, 2018. pp. 171-184 (Advances in Intelligent Systems and Computing).

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title = "Statistical analysis of the impact of molecular descriptors on antimicrobial activity of thiourea derivatives incorporating 3-amino-1,2,4-triazole scaffold",

abstract = "The paper contains results of statistical and chemometric analysis for 15 thiourea derivatives containing the 3-amino-1,2,4-triazole moiety and characterized by antimicrobial activity against Staphylococcus aureus (NCTC 4163, ATCC 25923, ATCC 6538, ATCC 29213), Staphylococcus epidermidis (ATCC 12228) bacteria, as well as by low cytotoxicity (or lack thereof) against infected MT-4 cells. Multiple regression and cluster analysis were employed to perform the study. The research enabled obtaining linear relationships connected with three molecular descriptors SA, η, logP. The conducted chemometric analyses indicate that the increase in activity against the studied strains is closely related to the type and position of substituent in a phenyl ring.",

keywords = "3-amino-1,2,4-triazole, Antimicrobial activity, Cluster analysis, Statistical analysis, Thiourea derivatives",

author = "Anna Filipowska and Wojciech Filipowski and Ewaryst Tkacz and Monika Wujec",

note = "Publisher Copyright: {\textcopyright} 2018, Springer International Publishing AG.; Conference on Innovations in Biomedical Engineering, IBE 2017 ; Conference date: 19-10-2017 Through 20-10-2017",

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doi = "10.1007/978-3-319-70063-2\_19",

language = "English",

isbn = "9783319700625",

series = "Advances in Intelligent Systems and Computing",

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Filipowska, A , Filipowski, W, Tkacz, E & Wujec, M 2018, Statistical analysis of the impact of molecular descriptors on antimicrobial activity of thiourea derivatives incorporating 3-amino-1,2,4-triazole scaffold. in M Gzik, Z Paszenda, E Tkacz & E Pietka (eds), Innovations in Biomedical Engineering. Advances in Intelligent Systems and Computing, vol. 623, Springer Verlag, pp. 171-184, Conference on Innovations in Biomedical Engineering, IBE 2017, Zabrze, Poland, 19/10/17. https://doi.org/10.1007/978-3-319-70063-2_19

Statistical analysis of the impact of molecular descriptors on antimicrobial activity of thiourea derivatives incorporating 3-amino-1,2,4-triazole scaffold. / Filipowska, Anna ; Filipowski, Wojciech; Tkacz, Ewaryst et al.
Innovations in Biomedical Engineering. ed. / Marek Gzik; Zbigniew Paszenda; Ewaryst Tkacz; Ewa Pietka. Springer Verlag, 2018. p. 171-184 (Advances in Intelligent Systems and Computing; Vol. 623).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

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AU - Wujec, Monika

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AB - The paper contains results of statistical and chemometric analysis for 15 thiourea derivatives containing the 3-amino-1,2,4-triazole moiety and characterized by antimicrobial activity against Staphylococcus aureus (NCTC 4163, ATCC 25923, ATCC 6538, ATCC 29213), Staphylococcus epidermidis (ATCC 12228) bacteria, as well as by low cytotoxicity (or lack thereof) against infected MT-4 cells. Multiple regression and cluster analysis were employed to perform the study. The research enabled obtaining linear relationships connected with three molecular descriptors SA, η, logP. The conducted chemometric analyses indicate that the increase in activity against the studied strains is closely related to the type and position of substituent in a phenyl ring.

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Filipowska A , Filipowski W, Tkacz E, Wujec M. Statistical analysis of the impact of molecular descriptors on antimicrobial activity of thiourea derivatives incorporating 3-amino-1,2,4-triazole scaffold. In Gzik M, Paszenda Z, Tkacz E, Pietka E, editors, Innovations in Biomedical Engineering. Springer Verlag. 2018. p. 171-184. (Advances in Intelligent Systems and Computing). doi: 10.1007/978-3-319-70063-2_19

Statistical analysis of the impact of molecular descriptors on antimicrobial activity of thiourea derivatives incorporating 3-amino-1,2,4-triazole scaffold

Abstract

Publication series

Conference

Keywords

ASJC Scopus subject areas

Access to Document

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