Thiazolidinone motif in anticancer drug discovery. Experience of DH LNMU medicinal chemistry scientific group

R. B. Lesyk; B. S. Zimenkovsky; D. V. Kaminskyy; A. P. Kryshchyshyn; D. Ya Havryluk; D. V. Atamanyuk; I. Yu Subtel’na; D. V. Khyluk

doi:10.7124/bc.000089

Thiazolidinone motif in anticancer drug discovery. Experience of DH LNMU medicinal chemistry scientific group

R. B. Lesyk, B. S. Zimenkovsky, D. V. Kaminskyy, A. P. Kryshchyshyn, D. Ya Havryluk, D. V. Atamanyuk, I. Yu Subtel’na, D. V. Khyluk

Chemistry

Research output: Contribution to journal › Article › peer-review

85 Scopus citations

Abstract

The aim was analysis of 4-thiazolidinones and related heterocyclic systems anticancer activity data and formation of some rational design directions of potential anticancer agents. Synthetic research carried out in Danylo Halytsky Lviv National Medical University (DH LNMU) allowed us to propose a whole number of new molecular design directions of biological active 4-thiazolidinones and related heterocyclic systems, as well as obtain directed library that numbers over 5000 of novel compounds. At the present time in vitro anti- cancer activity screening was carried out for more than 1000 compounds (US NCI protocol (Developmental Therapeutic Program), among them 167 compounds showed high antitumor activity level. For the purpose of optimization and rational design of highly active molecules with optimal «drug-like» characteristics and discovering of possible mechanism of action SAR, QSAR analysis and molecular docking were carried out. The ultimate aim of the project is creating of innovative synthetic drug with special mechanism of action and sufficient pharmacological and toxicological features. Some aspects of structure-activity relationships were determined and structure design directions were proposed. The series of active compounds with high anticancer activity and/or selectivity levels were selected.

Original language	English
Pages (from-to)	107-117
Number of pages	11
Journal	Unknown Journal
Volume	27
Issue number	2
DOIs	https://doi.org/10.7124/bc.000089
State	Published - 2011

Bibliographical note

Publisher Copyright:
© Institute of Molecular Biology and Genetics NAS of Ukraine, 2011.

Keywords

(Q)SAR
3-d]thiazoles
4-thia(imida)zolidinones
Anticancer activity
Synthesis
Thiopyrano[2

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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Cite this

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title = "Thiazolidinone motif in anticancer drug discovery. Experience of DH LNMU medicinal chemistry scientific group",

abstract = "The aim was analysis of 4-thiazolidinones and related heterocyclic systems anticancer activity data and formation of some rational design directions of potential anticancer agents. Synthetic research carried out in Danylo Halytsky Lviv National Medical University (DH LNMU) allowed us to propose a whole number of new molecular design directions of biological active 4-thiazolidinones and related heterocyclic systems, as well as obtain directed library that numbers over 5000 of novel compounds. At the present time in vitro anti- cancer activity screening was carried out for more than 1000 compounds (US NCI protocol (Developmental Therapeutic Program), among them 167 compounds showed high antitumor activity level. For the purpose of optimization and rational design of highly active molecules with optimal «drug-like» characteristics and discovering of possible mechanism of action SAR, QSAR analysis and molecular docking were carried out. The ultimate aim of the project is creating of innovative synthetic drug with special mechanism of action and sufficient pharmacological and toxicological features. Some aspects of structure-activity relationships were determined and structure design directions were proposed. The series of active compounds with high anticancer activity and/or selectivity levels were selected.",

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note = "Publisher Copyright: {\textcopyright} Institute of Molecular Biology and Genetics NAS of Ukraine, 2011.",

year = "2011",

doi = "10.7124/bc.000089",

language = "English",

volume = "27",

pages = "107--117",

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AU - Lesyk, R. B.

AU - Zimenkovsky, B. S.

AU - Kaminskyy, D. V.

AU - Kryshchyshyn, A. P.

AU - Havryluk, D. Ya

AU - Atamanyuk, D. V.

AU - Subtel’na, I. Yu

AU - Khyluk, D. V.

N1 - Publisher Copyright: © Institute of Molecular Biology and Genetics NAS of Ukraine, 2011.

PY - 2011

Y1 - 2011

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AB - The aim was analysis of 4-thiazolidinones and related heterocyclic systems anticancer activity data and formation of some rational design directions of potential anticancer agents. Synthetic research carried out in Danylo Halytsky Lviv National Medical University (DH LNMU) allowed us to propose a whole number of new molecular design directions of biological active 4-thiazolidinones and related heterocyclic systems, as well as obtain directed library that numbers over 5000 of novel compounds. At the present time in vitro anti- cancer activity screening was carried out for more than 1000 compounds (US NCI protocol (Developmental Therapeutic Program), among them 167 compounds showed high antitumor activity level. For the purpose of optimization and rational design of highly active molecules with optimal «drug-like» characteristics and discovering of possible mechanism of action SAR, QSAR analysis and molecular docking were carried out. The ultimate aim of the project is creating of innovative synthetic drug with special mechanism of action and sufficient pharmacological and toxicological features. Some aspects of structure-activity relationships were determined and structure design directions were proposed. The series of active compounds with high anticancer activity and/or selectivity levels were selected.

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Thiazolidinone motif in anticancer drug discovery. Experience of DH LNMU medicinal chemistry scientific group

Abstract

Bibliographical note

Keywords

UN SDGs

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