TechnoRep - Faculty of Technology and Metallurgy Repository
University of Belgrade - Faculty of Technology and Metallurgy
    • English
    • Српски
    • Српски (Serbia)
  • English 
    • English
    • Serbian (Cyrillic)
    • Serbian (Latin)
  • Login
View Item 
  •   TechnoRep
  • Inovacioni centar
  • Radovi istraživača (Inovacioni centar) / Researchers’ publications (Innovation Centre)
  • View Item
  •   TechnoRep
  • Inovacioni centar
  • Radovi istraživača (Inovacioni centar) / Researchers’ publications (Innovation Centre)
  • View Item
JavaScript is disabled for your browser. Some features of this site may not work without it.

A comparative study of chromatographic lipophilicity and bioactivity parameters of selected spirohydantoins

Authorized Users Only
2020
Authors
Tot, Kristina
Lazić, Anita
Đaković-Sekulić, Tatjana
Article (Published version)
Metadata
Show full item record
Abstract
In this study, lipophilicity of 21 cycloalkylspiro-5-hidantoins was assessed. The overall goal of lipophilicity evaluation is preliminary investigation which should result in a decrease of the traditionally high attrition rates for compounds entering clinical trials. Lipophilicity assessment was done by reversed-phase thin-layer chromatography and in silico methods. Chromatographic analyses were performed on C-18 modified thin-layer of silica gel with a two-component mobile phase consisting of water and organic solvent (acetonitrile, acetone, dioxane, or tetrahydrofuran) in different ratios. The chromatographic lipophilicities (R (M) (0)) were discussed and compared with computational log Ps calculated with various algorithms as well as in silico ADMET descriptors using linear regression and multivariate approach (hierarchical cluster analysis and principal component analysis). A high correlation was obtained between R (M) (0) values and calculated log P indicating a strong relationshi...p between the variables. Multivariate data analysis enabled the comparison of the chemical structures, lipophilicity, pharmacokinetic predictors and toxicity of the investigated compounds.

Keywords:
Bioactivity and toxicity / chromatographic lipophilicity / cycloalkanespiro-5-hydantoins / multivariate methods
Source:
Journal of Liquid Chromatography & Related Technologies, 2020, 43, 19-20, 925-933
Publisher:
  • Taylor & Francis Inc, Philadelphia
Funding / projects:
  • Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 200125 (University of Novi Sad, Faculty of Science) (RS-200125)

DOI: 10.1080/10826076.2020.1856137

ISSN: 1082-6076

WoS: 000596979600001

Scopus: 2-s2.0-85097427789
[ Google Scholar ]
1
1
URI
http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6
Collections
  • Radovi istraživača (Inovacioni centar) / Researchers’ publications (Innovation Centre)
Institution/Community
Inovacioni centar
TY  - JOUR
AU  - Tot, Kristina
AU  - Lazić, Anita
AU  - Đaković-Sekulić, Tatjana
PY  - 2020
PY  - 2020
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6
AB  - In this study, lipophilicity of 21 cycloalkylspiro-5-hidantoins was assessed. The overall goal of lipophilicity evaluation is preliminary investigation which should result in a decrease of the traditionally high attrition rates for compounds entering clinical trials. Lipophilicity assessment was done by reversed-phase thin-layer chromatography and in silico methods. Chromatographic analyses were performed on C-18 modified thin-layer of silica gel with a two-component mobile phase consisting of water and organic solvent (acetonitrile, acetone, dioxane, or tetrahydrofuran) in different ratios. The chromatographic lipophilicities (R (M) (0)) were discussed and compared with computational log Ps calculated with various algorithms as well as in silico ADMET descriptors using linear regression and multivariate approach (hierarchical cluster analysis and principal component analysis). A high correlation was obtained between R (M) (0) values and calculated log P indicating a strong relationship between the variables. Multivariate data analysis enabled the comparison of the chemical structures, lipophilicity, pharmacokinetic predictors and toxicity of the investigated compounds.
PB  - Taylor & Francis Inc, Philadelphia
T2  - Journal of Liquid Chromatography & Related Technologies
T1  - A comparative study of chromatographic lipophilicity and bioactivity parameters of selected spirohydantoins
EP  - 933
IS  - 19-20
SP  - 925
VL  - 43
DO  - 10.1080/10826076.2020.1856137
ER  - 
@article{
author = "Tot, Kristina and Lazić, Anita and Đaković-Sekulić, Tatjana",
year = "2020, 2020",
abstract = "In this study, lipophilicity of 21 cycloalkylspiro-5-hidantoins was assessed. The overall goal of lipophilicity evaluation is preliminary investigation which should result in a decrease of the traditionally high attrition rates for compounds entering clinical trials. Lipophilicity assessment was done by reversed-phase thin-layer chromatography and in silico methods. Chromatographic analyses were performed on C-18 modified thin-layer of silica gel with a two-component mobile phase consisting of water and organic solvent (acetonitrile, acetone, dioxane, or tetrahydrofuran) in different ratios. The chromatographic lipophilicities (R (M) (0)) were discussed and compared with computational log Ps calculated with various algorithms as well as in silico ADMET descriptors using linear regression and multivariate approach (hierarchical cluster analysis and principal component analysis). A high correlation was obtained between R (M) (0) values and calculated log P indicating a strong relationship between the variables. Multivariate data analysis enabled the comparison of the chemical structures, lipophilicity, pharmacokinetic predictors and toxicity of the investigated compounds.",
publisher = "Taylor & Francis Inc, Philadelphia",
journal = "Journal of Liquid Chromatography & Related Technologies",
title = "A comparative study of chromatographic lipophilicity and bioactivity parameters of selected spirohydantoins",
pages = "933-925",
number = "19-20",
volume = "43",
doi = "10.1080/10826076.2020.1856137"
}
Tot, K., Lazić, A.,& Đaković-Sekulić, T.. (2020). A comparative study of chromatographic lipophilicity and bioactivity parameters of selected spirohydantoins. in Journal of Liquid Chromatography & Related Technologies
Taylor & Francis Inc, Philadelphia., 43(19-20), 925-933.
https://doi.org/10.1080/10826076.2020.1856137
Tot K, Lazić A, Đaković-Sekulić T. A comparative study of chromatographic lipophilicity and bioactivity parameters of selected spirohydantoins. in Journal of Liquid Chromatography & Related Technologies. 2020;43(19-20):925-933.
doi:10.1080/10826076.2020.1856137 .
Tot, Kristina, Lazić, Anita, Đaković-Sekulić, Tatjana, "A comparative study of chromatographic lipophilicity and bioactivity parameters of selected spirohydantoins" in Journal of Liquid Chromatography & Related Technologies, 43, no. 19-20 (2020):925-933,
https://doi.org/10.1080/10826076.2020.1856137 . .

DSpace software copyright © 2002-2015  DuraSpace
About TechnoRep | Send Feedback

OpenAIRERCUB
 

 

All of DSpaceInstitutions/communitiesAuthorsTitlesSubjectsThis institutionAuthorsTitlesSubjects

Statistics

View Usage Statistics

DSpace software copyright © 2002-2015  DuraSpace
About TechnoRep | Send Feedback

OpenAIRERCUB