QSRR prediction of the chromatographic retention behaviour of spirohydantoin derivatives
Само за регистроване кориснике
2019
Конференцијски прилог (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
Spirohidantoins represent a pharmacologically important class of compounds. Many of
them display activities against a wide range of biological targets1
. A recent study shows
that a wide range of biological activities of spirohydantoin derivatives strongly depends
upon their structure. Hence it is important to understand their properties, particularly the
properties of newly synthesized derivatives. One of the most important properties for
biological activity is lipophilicity. Lipophilicity is responsible for pharmacokinetics, and
hence important for further development of potentially active compounds. The aim of
this study is to determine the chromatographic retention parameter of the new
synthesized spirohydantoin derivatives as a measure of their lipophilicity.
Chromatographic retention parameters of investigated compounds have been determined
by reversed-phase thin-layer chromatography on C-18 modified silica gel. Mobile
phases were two-component mixtures of water and a...protic organic solvents (i.e.
acetonitrile, acetone, dioxane, and tetrahydrofuran).
Quantitative structure-retention relationship2 (QSRR) was used for assessment of
relationships between chromatographic retention parameters, RM
0
, and calculated
partition coefficients of the molecule, log P. For the calculation of log P and additional
molecular descriptors were used several software packages (Dragon and ChemDraw) in
addition to online internet modules Molinspiration (https://www.molinspiration.com/)
and ADMETlab (http://admet.scbdd.com/).
Извор:
Book of abstracts / Seventh Conference of the Young Chemists of Serbia, Belgrade, 2nd November 2019, 2019, 118-Издавач:
- Belgrade : Serbian Chemical Society
Финансирање / пројекти:
- Проучавање синтезе, структуре и активности органских једињења природног и синтетског порекла (RS-MESTD-Basic Research (BR or ON)-172013)
Институција/група
Inovacioni centarTY - CONF AU - Tot, Kristina A. AU - Lazić, Anita M. AU - Đaković-Sekulić, Tatjana Lj. PY - 2019 UR - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/7465 AB - Spirohidantoins represent a pharmacologically important class of compounds. Many of them display activities against a wide range of biological targets1 . A recent study shows that a wide range of biological activities of spirohydantoin derivatives strongly depends upon their structure. Hence it is important to understand their properties, particularly the properties of newly synthesized derivatives. One of the most important properties for biological activity is lipophilicity. Lipophilicity is responsible for pharmacokinetics, and hence important for further development of potentially active compounds. The aim of this study is to determine the chromatographic retention parameter of the new synthesized spirohydantoin derivatives as a measure of their lipophilicity. Chromatographic retention parameters of investigated compounds have been determined by reversed-phase thin-layer chromatography on C-18 modified silica gel. Mobile phases were two-component mixtures of water and aprotic organic solvents (i.e. acetonitrile, acetone, dioxane, and tetrahydrofuran). Quantitative structure-retention relationship2 (QSRR) was used for assessment of relationships between chromatographic retention parameters, RM 0 , and calculated partition coefficients of the molecule, log P. For the calculation of log P and additional molecular descriptors were used several software packages (Dragon and ChemDraw) in addition to online internet modules Molinspiration (https://www.molinspiration.com/) and ADMETlab (http://admet.scbdd.com/). PB - Belgrade : Serbian Chemical Society C3 - Book of abstracts / Seventh Conference of the Young Chemists of Serbia, Belgrade, 2nd November 2019 T1 - QSRR prediction of the chromatographic retention behaviour of spirohydantoin derivatives SP - 118 UR - https://hdl.handle.net/21.15107/rcub_technorep_7465 ER -
@conference{ author = "Tot, Kristina A. and Lazić, Anita M. and Đaković-Sekulić, Tatjana Lj.", year = "2019", abstract = "Spirohidantoins represent a pharmacologically important class of compounds. Many of them display activities against a wide range of biological targets1 . A recent study shows that a wide range of biological activities of spirohydantoin derivatives strongly depends upon their structure. Hence it is important to understand their properties, particularly the properties of newly synthesized derivatives. One of the most important properties for biological activity is lipophilicity. Lipophilicity is responsible for pharmacokinetics, and hence important for further development of potentially active compounds. The aim of this study is to determine the chromatographic retention parameter of the new synthesized spirohydantoin derivatives as a measure of their lipophilicity. Chromatographic retention parameters of investigated compounds have been determined by reversed-phase thin-layer chromatography on C-18 modified silica gel. Mobile phases were two-component mixtures of water and aprotic organic solvents (i.e. acetonitrile, acetone, dioxane, and tetrahydrofuran). Quantitative structure-retention relationship2 (QSRR) was used for assessment of relationships between chromatographic retention parameters, RM 0 , and calculated partition coefficients of the molecule, log P. For the calculation of log P and additional molecular descriptors were used several software packages (Dragon and ChemDraw) in addition to online internet modules Molinspiration (https://www.molinspiration.com/) and ADMETlab (http://admet.scbdd.com/).", publisher = "Belgrade : Serbian Chemical Society", journal = "Book of abstracts / Seventh Conference of the Young Chemists of Serbia, Belgrade, 2nd November 2019", title = "QSRR prediction of the chromatographic retention behaviour of spirohydantoin derivatives", pages = "118", url = "https://hdl.handle.net/21.15107/rcub_technorep_7465" }
Tot, K. A., Lazić, A. M.,& Đaković-Sekulić, T. Lj.. (2019). QSRR prediction of the chromatographic retention behaviour of spirohydantoin derivatives. in Book of abstracts / Seventh Conference of the Young Chemists of Serbia, Belgrade, 2nd November 2019 Belgrade : Serbian Chemical Society., 118. https://hdl.handle.net/21.15107/rcub_technorep_7465
Tot KA, Lazić AM, Đaković-Sekulić TL. QSRR prediction of the chromatographic retention behaviour of spirohydantoin derivatives. in Book of abstracts / Seventh Conference of the Young Chemists of Serbia, Belgrade, 2nd November 2019. 2019;:118. https://hdl.handle.net/21.15107/rcub_technorep_7465 .
Tot, Kristina A., Lazić, Anita M., Đaković-Sekulić, Tatjana Lj., "QSRR prediction of the chromatographic retention behaviour of spirohydantoin derivatives" in Book of abstracts / Seventh Conference of the Young Chemists of Serbia, Belgrade, 2nd November 2019 (2019):118, https://hdl.handle.net/21.15107/rcub_technorep_7465 .