Comparative chemometric and quantitative structure-retention relationship analysis of anisotropic lipophilicity of 1-arylsuccinimide derivatives determined in high-performance thin-layer chromatography system with aprotic solvents
Само за регистроване кориснике
2020
Аутори
Kovačević, Strahinja
Karadžić Banjac, Milica

Milošević, Nataša

Ćurčić, Jelena
Marjanović, Dunja
Todorović, Nemanja
Krmar, Jovana

Podunavac-Kuzmanović, Sanja

Banjac, Nebojša
Ušćumlić, Gordana

Чланак у часопису (Објављена верзија)

Метаподаци
Приказ свих података о документуАпстракт
Numerous structurally different amides and imides including succinimide derivatives exhibit diverse bioactive potential. The development of new compounds requires rationalization in the design in or- der to provide structural changes that guarantee favorable physico-chemical properties, pharmacological activity and safety. In the present research, a comprehensive study with comparison of the chromato- graphic lipophilicity and other physico-chemical properties of five groups of 1-arylsuccinimide derivatives was conducted. The chemometric analysis of their physico-chemical properties was carried out by us- ing unsupervised (hierarchical cluster analysis and principal component analysis) and supervised pattern recognition methods (linear discriminant analysis), while the correlations between the in silico molecular features and chromatographic lipophilicity were examined applying linear and non-linear Quantitative Structure–Retention Relationship (QSRR) approaches. The main aim of the co...nducted research was to determine similarities and dissimilarities among the studied 1-arylsuccinimides, to point out the molec- ular features which have significant influence on their lipophilicity, as well as to establish high-quality QSRR models which can be used in prediction of chromatographic lipophilicity of structurally similar 1-arylsuccinimides. This study is a continuation of analysis and determination of the physico-chemical properties of 1-arylsuccinimides which could be important guidelines in further in vitro and eventually in vivo studies of their biological potential.
Кључне речи:
QSRR / Chemometrics / Chromatography / Lipophilicity / Succinimide derivativesИзвор:
Journal of Chromatography A, 2020, 1628Издавач:
- Elsevier B.V.
Финансирање / пројекти:
- Министарство просвете, науке и технолошког развоја Републике Србије, Уговор бр. 200134 (Универзитет у Новом Саду, Технолошки факултет) (RS-200134)
- Проучавање синтезе, структуре и активности органских једињења природног и синтетског порекла (RS-172013)
- Дизајнирање, синтеза, карактеризација и процена практичне примене координационих и органометалних једињења (RS-172014)
DOI: 10.1016/j.chroma.2020.461439
ISSN: 0021-9673
WoS: 000569895700018
Scopus: 2-s2.0-85089349264
Институција/група
PharmacyTY - JOUR AU - Kovačević, Strahinja AU - Karadžić Banjac, Milica AU - Milošević, Nataša AU - Ćurčić, Jelena AU - Marjanović, Dunja AU - Todorović, Nemanja AU - Krmar, Jovana AU - Podunavac-Kuzmanović, Sanja AU - Banjac, Nebojša AU - Ušćumlić, Gordana PY - 2020 UR - https://farfar.pharmacy.bg.ac.rs/handle/123456789/3645 AB - Numerous structurally different amides and imides including succinimide derivatives exhibit diverse bioactive potential. The development of new compounds requires rationalization in the design in or- der to provide structural changes that guarantee favorable physico-chemical properties, pharmacological activity and safety. In the present research, a comprehensive study with comparison of the chromato- graphic lipophilicity and other physico-chemical properties of five groups of 1-arylsuccinimide derivatives was conducted. The chemometric analysis of their physico-chemical properties was carried out by us- ing unsupervised (hierarchical cluster analysis and principal component analysis) and supervised pattern recognition methods (linear discriminant analysis), while the correlations between the in silico molecular features and chromatographic lipophilicity were examined applying linear and non-linear Quantitative Structure–Retention Relationship (QSRR) approaches. The main aim of the conducted research was to determine similarities and dissimilarities among the studied 1-arylsuccinimides, to point out the molec- ular features which have significant influence on their lipophilicity, as well as to establish high-quality QSRR models which can be used in prediction of chromatographic lipophilicity of structurally similar 1-arylsuccinimides. This study is a continuation of analysis and determination of the physico-chemical properties of 1-arylsuccinimides which could be important guidelines in further in vitro and eventually in vivo studies of their biological potential. PB - Elsevier B.V. T2 - Journal of Chromatography A T1 - Comparative chemometric and quantitative structure-retention relationship analysis of anisotropic lipophilicity of 1-arylsuccinimide derivatives determined in high-performance thin-layer chromatography system with aprotic solvents VL - 1628 DO - 10.1016/j.chroma.2020.461439 ER -
@article{ author = "Kovačević, Strahinja and Karadžić Banjac, Milica and Milošević, Nataša and Ćurčić, Jelena and Marjanović, Dunja and Todorović, Nemanja and Krmar, Jovana and Podunavac-Kuzmanović, Sanja and Banjac, Nebojša and Ušćumlić, Gordana", year = "2020", abstract = "Numerous structurally different amides and imides including succinimide derivatives exhibit diverse bioactive potential. The development of new compounds requires rationalization in the design in or- der to provide structural changes that guarantee favorable physico-chemical properties, pharmacological activity and safety. In the present research, a comprehensive study with comparison of the chromato- graphic lipophilicity and other physico-chemical properties of five groups of 1-arylsuccinimide derivatives was conducted. The chemometric analysis of their physico-chemical properties was carried out by us- ing unsupervised (hierarchical cluster analysis and principal component analysis) and supervised pattern recognition methods (linear discriminant analysis), while the correlations between the in silico molecular features and chromatographic lipophilicity were examined applying linear and non-linear Quantitative Structure–Retention Relationship (QSRR) approaches. The main aim of the conducted research was to determine similarities and dissimilarities among the studied 1-arylsuccinimides, to point out the molec- ular features which have significant influence on their lipophilicity, as well as to establish high-quality QSRR models which can be used in prediction of chromatographic lipophilicity of structurally similar 1-arylsuccinimides. This study is a continuation of analysis and determination of the physico-chemical properties of 1-arylsuccinimides which could be important guidelines in further in vitro and eventually in vivo studies of their biological potential.", publisher = "Elsevier B.V.", journal = "Journal of Chromatography A", title = "Comparative chemometric and quantitative structure-retention relationship analysis of anisotropic lipophilicity of 1-arylsuccinimide derivatives determined in high-performance thin-layer chromatography system with aprotic solvents", volume = "1628", doi = "10.1016/j.chroma.2020.461439" }
Kovačević, S., Karadžić Banjac, M., Milošević, N., Ćurčić, J., Marjanović, D., Todorović, N., Krmar, J., Podunavac-Kuzmanović, S., Banjac, N.,& Ušćumlić, G.. (2020). Comparative chemometric and quantitative structure-retention relationship analysis of anisotropic lipophilicity of 1-arylsuccinimide derivatives determined in high-performance thin-layer chromatography system with aprotic solvents. in Journal of Chromatography A Elsevier B.V.., 1628. https://doi.org/10.1016/j.chroma.2020.461439
Kovačević S, Karadžić Banjac M, Milošević N, Ćurčić J, Marjanović D, Todorović N, Krmar J, Podunavac-Kuzmanović S, Banjac N, Ušćumlić G. Comparative chemometric and quantitative structure-retention relationship analysis of anisotropic lipophilicity of 1-arylsuccinimide derivatives determined in high-performance thin-layer chromatography system with aprotic solvents. in Journal of Chromatography A. 2020;1628. doi:10.1016/j.chroma.2020.461439 .
Kovačević, Strahinja, Karadžić Banjac, Milica, Milošević, Nataša, Ćurčić, Jelena, Marjanović, Dunja, Todorović, Nemanja, Krmar, Jovana, Podunavac-Kuzmanović, Sanja, Banjac, Nebojša, Ušćumlić, Gordana, "Comparative chemometric and quantitative structure-retention relationship analysis of anisotropic lipophilicity of 1-arylsuccinimide derivatives determined in high-performance thin-layer chromatography system with aprotic solvents" in Journal of Chromatography A, 1628 (2020), https://doi.org/10.1016/j.chroma.2020.461439 . .