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

Wyniki badań: Rozdział w książce/raport/materiał konferencyjny › Wkład w konferencję › recenzja

2 Cytowania z bazy Scopus

Abstrakt

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.

Język oryginału	angielski
Tytuł publikacji goszczącej	Innovations in Biomedical Engineering
Redaktorzy	Marek Gzik, Zbigniew Paszenda, Ewaryst Tkacz, Ewa Pietka
Wydawca	Springer Verlag
Strony	171-184
Liczba stron	14
ISBN (drukowany)	9783319700625
Identyfikatory DOI	https://doi.org/10.1007/978-3-319-70063-2_19
Status publikacji	Opublikowano - 2018
Wydarzenie	Conference on Innovations in Biomedical Engineering, IBE 2017 - Zabrze, Polska Czas trwania: 19 paź 2017 → 20 paź 2017

Seria publikacji

Nazwa	Advances in Intelligent Systems and Computing
Tom	623
ISSN (drukowany)	2194-5357

Konferencja

Konferencja	Conference on Innovations in Biomedical Engineering, IBE 2017
Kraj/Terytorium	Polska
Miejscowość	Zabrze
Okres	19/10/17 → 20/10/17

Obszary tematyczne ASJC Scopus

Inżynieria sterowania i systemów
Informatyka ogólna

Uzyskaj dostęp do dokumentu

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

Inne pliki i linki

Link do publikacji w Scopus

Cytowanie

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. W M. Gzik, Z. Paszenda, E. Tkacz, & E. Pietka (Red.), Innovations in Biomedical Engineering (str. 171-184). (Advances in Intelligent Systems and Computing; Tom 623). Springer Verlag. https://doi.org/10.1007/978-3-319-70063-2_19

Filipowska, Anna ; Filipowski, Wojciech ; Tkacz, Ewaryst i in. / 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. redaktor / Marek Gzik ; Zbigniew Paszenda ; Ewaryst Tkacz ; Ewa Pietka. Springer Verlag, 2018. str. 171-184 (Advances in Intelligent Systems and Computing).

@inproceedings{4beec8fb5c9b424b8038e16db169b2fb,

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",

year = "2018",

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

language = "English",

isbn = "9783319700625",

series = "Advances in Intelligent Systems and Computing",

publisher = "Springer Verlag",

pages = "171--184",

editor = "Marek Gzik and Zbigniew Paszenda and Ewaryst Tkacz and Ewa Pietka",

booktitle = "Innovations in Biomedical Engineering",

address = "Germany",

}

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. w M Gzik, Z Paszenda, E Tkacz & E Pietka (red), Innovations in Biomedical Engineering. Advances in Intelligent Systems and Computing, tom 623, Springer Verlag, str. 171-184, Conference on Innovations in Biomedical Engineering, IBE 2017, Zabrze, Polska, 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 i in.
Innovations in Biomedical Engineering. red. / Marek Gzik; Zbigniew Paszenda; Ewaryst Tkacz; Ewa Pietka. Springer Verlag, 2018. str. 171-184 (Advances in Intelligent Systems and Computing; Tom 623).

Wyniki badań: Rozdział w książce/raport/materiał konferencyjny › Wkład w konferencję › recenzja

TY - GEN

T1 - Statistical analysis of the impact of molecular descriptors on antimicrobial activity of thiourea derivatives incorporating 3-amino-1,2,4-triazole scaffold

AU - Filipowska, Anna

AU - Filipowski, Wojciech

AU - Tkacz, Ewaryst

AU - Wujec, Monika

PY - 2018

Y1 - 2018

N2 - 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.

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.

KW - 3-amino-1,2,4-triazole

KW - Antimicrobial activity

KW - Cluster analysis

KW - Statistical analysis

KW - Thiourea derivatives

UR - https://www.scopus.com/pages/publications/85034212248

U2 - 10.1007/978-3-319-70063-2_19

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

M3 - Conference contribution

AN - SCOPUS:85034212248

SN - 9783319700625

T3 - Advances in Intelligent Systems and Computing

SP - 171

EP - 184

BT - Innovations in Biomedical Engineering

A2 - Gzik, Marek

A2 - Paszenda, Zbigniew

A2 - Tkacz, Ewaryst

A2 - Pietka, Ewa

PB - Springer Verlag

T2 - Conference on Innovations in Biomedical Engineering, IBE 2017

Y2 - 19 October 2017 through 20 October 2017

ER -

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. W Gzik M, Paszenda Z, Tkacz E, Pietka E, redaktorzy, Innovations in Biomedical Engineering. Springer Verlag. 2018. str. 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

Abstrakt

Seria publikacji

Konferencja

Obszary tematyczne ASJC Scopus

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