The search for potential inhibitors of protein kinase Pim-1 among new amides of 1,2,4-triazolo[4,3-a]pyridine-3-metanamin with the 1,2,4-oxadiazol cycle in position 7 and 8

The Pim-1 enzyme from the serine/threonine protein kinase family is a likely target for the targeted therapy of tumors of hematopoietic and lymphoid tissues. Triazolopyridine is an universal scaffold upon which international scientific programs have been launched to develop potential anticancer agen...
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Autor*in:	Veronika R. Karpina [verfasserIn] S. M. Kovalenko [verfasserIn] Oleg V. Zaremba [verfasserIn] O. V. Silin [verfasserIn] V. V. Ivanov [verfasserIn] S. S. Kovalenko [verfasserIn] T. Langer [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch ; Russisch ; Ukrainisch

Erschienen:	2019

Schlagwörter:	triazolopyridine oxadiazole pim-1 protein kinase antitumor activity pharmacophore model virtual screening

Übergeordnetes Werk:	In: Журнал органічної та фармацевтичної хімії - National University of Pharmacy (Kharkiv, Ukraine), 2020, 17(2019), 3, Seite 5-14
Übergeordnetes Werk:	volume:17 ; year:2019 ; number:3 ; pages:5-14

Links:	Link aufrufen Link aufrufen Link aufrufen Journal toc Journal toc

Katalog-ID:	DOAJ042384206

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245	1	4	\|a The search for potential inhibitors of protein kinase Pim-1 among new amides of 1,2,4-triazolo[4,3-a]pyridine-3-metanamin with the 1,2,4-oxadiazol cycle in position 7 and 8
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520			\|a The Pim-1 enzyme from the serine/threonine protein kinase family is a likely target for the targeted therapy of tumors of hematopoietic and lymphoid tissues. Triazolopyridine is an universal scaffold upon which international scientific programs have been launched to develop potential anticancer agents. Aim. To create a pharmacophore model to find new potential Pim-1 inhibitors; conduct a virtual screening of a simulated base of new 1,2,4-triazolo[4,3-a]pyridine derivatives; develop a method for the synthesis of 1,2,4-triazolo[4,3-a]pyridine-3-methanamines with the 1,2,4-isoxadiazole cycle. Results and discussion. In this study, a ligand-based pharmacophore model for Pim-1 inhibitors was constructed and validated. A virtual screening of the library with 912 compounds resulted in a hit list of 175 compounds. For the synthesis, 15 compounds were selected with the highest pharmacophore-fit score. 15 compounds were synthesized as potential inhibitors of Pim-1 kinase. Experimental part. The synthetic approach has been developed, and systematic series of new amides of (7-(1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine and (8-(1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine have been synthesized. Conclusions. The compounds obtained are potential inhibitors of Pim-1 kinase. Further studies will focus on the determination of the antitumor activity of the compounds synthesized by in vitro and in vivo methods.
650		4	\|a triazolopyridine
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700	0		\|a S. M. Kovalenko \|e verfasserin \|4 aut
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author_variant	v r k vrk s m k smk o v z ovz o v s ovs v v i vvi s s k ssk t l tl
matchkey_str	article:25181548:2019----::hsacfroetaihbtropoeniaei1mnnwmdsf2tizl4ayiiemtnmnih
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allfields	(DE-627)DOAJ042384206 (DE-599)DOAJe7d756312eed487b878994d3f9a20086 DE-627 ger DE-627 rakwb eng rus ukr QD1-999 Veronika R. Karpina verfasserin aut The search for potential inhibitors of protein kinase Pim-1 among new amides of 1,2,4-triazolo[4,3-a]pyridine-3-metanamin with the 1,2,4-oxadiazol cycle in position 7 and 8 2019 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The Pim-1 enzyme from the serine/threonine protein kinase family is a likely target for the targeted therapy of tumors of hematopoietic and lymphoid tissues. Triazolopyridine is an universal scaffold upon which international scientific programs have been launched to develop potential anticancer agents. Aim. To create a pharmacophore model to find new potential Pim-1 inhibitors; conduct a virtual screening of a simulated base of new 1,2,4-triazolo[4,3-a]pyridine derivatives; develop a method for the synthesis of 1,2,4-triazolo[4,3-a]pyridine-3-methanamines with the 1,2,4-isoxadiazole cycle. Results and discussion. In this study, a ligand-based pharmacophore model for Pim-1 inhibitors was constructed and validated. A virtual screening of the library with 912 compounds resulted in a hit list of 175 compounds. For the synthesis, 15 compounds were selected with the highest pharmacophore-fit score. 15 compounds were synthesized as potential inhibitors of Pim-1 kinase. Experimental part. The synthetic approach has been developed, and systematic series of new amides of (7-(1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine and (8-(1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine have been synthesized. Conclusions. The compounds obtained are potential inhibitors of Pim-1 kinase. Further studies will focus on the determination of the antitumor activity of the compounds synthesized by in vitro and in vivo methods. triazolopyridine oxadiazole pim-1 protein kinase antitumor activity pharmacophore model virtual screening Chemistry S. M. Kovalenko verfasserin aut Oleg V. Zaremba verfasserin aut O. V. Silin verfasserin aut V. V. Ivanov verfasserin aut S. S. Kovalenko verfasserin aut T. Langer verfasserin aut In Журнал органічної та фармацевтичної хімії National University of Pharmacy (Kharkiv, Ukraine), 2020 17(2019), 3, Seite 5-14 (DE-627)667872000 (DE-600)2625746-4 25181548 nnns volume:17 year:2019 number:3 pages:5-14 https://doi.org/10.24959/ophcj.19.174807 kostenfrei https://doaj.org/article/e7d756312eed487b878994d3f9a20086 kostenfrei http://ophcj.nuph.edu.ua/article/view/ophcj.19.174807/177688 kostenfrei https://doaj.org/toc/2308-8303 Journal toc kostenfrei https://doaj.org/toc/2518-1548 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 17 2019 3 5-14
spelling	(DE-627)DOAJ042384206 (DE-599)DOAJe7d756312eed487b878994d3f9a20086 DE-627 ger DE-627 rakwb eng rus ukr QD1-999 Veronika R. Karpina verfasserin aut The search for potential inhibitors of protein kinase Pim-1 among new amides of 1,2,4-triazolo[4,3-a]pyridine-3-metanamin with the 1,2,4-oxadiazol cycle in position 7 and 8 2019 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The Pim-1 enzyme from the serine/threonine protein kinase family is a likely target for the targeted therapy of tumors of hematopoietic and lymphoid tissues. Triazolopyridine is an universal scaffold upon which international scientific programs have been launched to develop potential anticancer agents. Aim. To create a pharmacophore model to find new potential Pim-1 inhibitors; conduct a virtual screening of a simulated base of new 1,2,4-triazolo[4,3-a]pyridine derivatives; develop a method for the synthesis of 1,2,4-triazolo[4,3-a]pyridine-3-methanamines with the 1,2,4-isoxadiazole cycle. Results and discussion. In this study, a ligand-based pharmacophore model for Pim-1 inhibitors was constructed and validated. A virtual screening of the library with 912 compounds resulted in a hit list of 175 compounds. For the synthesis, 15 compounds were selected with the highest pharmacophore-fit score. 15 compounds were synthesized as potential inhibitors of Pim-1 kinase. Experimental part. The synthetic approach has been developed, and systematic series of new amides of (7-(1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine and (8-(1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine have been synthesized. Conclusions. The compounds obtained are potential inhibitors of Pim-1 kinase. Further studies will focus on the determination of the antitumor activity of the compounds synthesized by in vitro and in vivo methods. triazolopyridine oxadiazole pim-1 protein kinase antitumor activity pharmacophore model virtual screening Chemistry S. M. Kovalenko verfasserin aut Oleg V. Zaremba verfasserin aut O. V. Silin verfasserin aut V. V. Ivanov verfasserin aut S. S. Kovalenko verfasserin aut T. Langer verfasserin aut In Журнал органічної та фармацевтичної хімії National University of Pharmacy (Kharkiv, Ukraine), 2020 17(2019), 3, Seite 5-14 (DE-627)667872000 (DE-600)2625746-4 25181548 nnns volume:17 year:2019 number:3 pages:5-14 https://doi.org/10.24959/ophcj.19.174807 kostenfrei https://doaj.org/article/e7d756312eed487b878994d3f9a20086 kostenfrei http://ophcj.nuph.edu.ua/article/view/ophcj.19.174807/177688 kostenfrei https://doaj.org/toc/2308-8303 Journal toc kostenfrei https://doaj.org/toc/2518-1548 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 17 2019 3 5-14
allfields_unstemmed	(DE-627)DOAJ042384206 (DE-599)DOAJe7d756312eed487b878994d3f9a20086 DE-627 ger DE-627 rakwb eng rus ukr QD1-999 Veronika R. Karpina verfasserin aut The search for potential inhibitors of protein kinase Pim-1 among new amides of 1,2,4-triazolo[4,3-a]pyridine-3-metanamin with the 1,2,4-oxadiazol cycle in position 7 and 8 2019 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The Pim-1 enzyme from the serine/threonine protein kinase family is a likely target for the targeted therapy of tumors of hematopoietic and lymphoid tissues. Triazolopyridine is an universal scaffold upon which international scientific programs have been launched to develop potential anticancer agents. Aim. To create a pharmacophore model to find new potential Pim-1 inhibitors; conduct a virtual screening of a simulated base of new 1,2,4-triazolo[4,3-a]pyridine derivatives; develop a method for the synthesis of 1,2,4-triazolo[4,3-a]pyridine-3-methanamines with the 1,2,4-isoxadiazole cycle. Results and discussion. In this study, a ligand-based pharmacophore model for Pim-1 inhibitors was constructed and validated. A virtual screening of the library with 912 compounds resulted in a hit list of 175 compounds. For the synthesis, 15 compounds were selected with the highest pharmacophore-fit score. 15 compounds were synthesized as potential inhibitors of Pim-1 kinase. Experimental part. The synthetic approach has been developed, and systematic series of new amides of (7-(1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine and (8-(1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine have been synthesized. Conclusions. The compounds obtained are potential inhibitors of Pim-1 kinase. Further studies will focus on the determination of the antitumor activity of the compounds synthesized by in vitro and in vivo methods. triazolopyridine oxadiazole pim-1 protein kinase antitumor activity pharmacophore model virtual screening Chemistry S. M. Kovalenko verfasserin aut Oleg V. Zaremba verfasserin aut O. V. Silin verfasserin aut V. V. Ivanov verfasserin aut S. S. Kovalenko verfasserin aut T. Langer verfasserin aut In Журнал органічної та фармацевтичної хімії National University of Pharmacy (Kharkiv, Ukraine), 2020 17(2019), 3, Seite 5-14 (DE-627)667872000 (DE-600)2625746-4 25181548 nnns volume:17 year:2019 number:3 pages:5-14 https://doi.org/10.24959/ophcj.19.174807 kostenfrei https://doaj.org/article/e7d756312eed487b878994d3f9a20086 kostenfrei http://ophcj.nuph.edu.ua/article/view/ophcj.19.174807/177688 kostenfrei https://doaj.org/toc/2308-8303 Journal toc kostenfrei https://doaj.org/toc/2518-1548 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 17 2019 3 5-14
allfieldsGer	(DE-627)DOAJ042384206 (DE-599)DOAJe7d756312eed487b878994d3f9a20086 DE-627 ger DE-627 rakwb eng rus ukr QD1-999 Veronika R. Karpina verfasserin aut The search for potential inhibitors of protein kinase Pim-1 among new amides of 1,2,4-triazolo[4,3-a]pyridine-3-metanamin with the 1,2,4-oxadiazol cycle in position 7 and 8 2019 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The Pim-1 enzyme from the serine/threonine protein kinase family is a likely target for the targeted therapy of tumors of hematopoietic and lymphoid tissues. Triazolopyridine is an universal scaffold upon which international scientific programs have been launched to develop potential anticancer agents. Aim. To create a pharmacophore model to find new potential Pim-1 inhibitors; conduct a virtual screening of a simulated base of new 1,2,4-triazolo[4,3-a]pyridine derivatives; develop a method for the synthesis of 1,2,4-triazolo[4,3-a]pyridine-3-methanamines with the 1,2,4-isoxadiazole cycle. Results and discussion. In this study, a ligand-based pharmacophore model for Pim-1 inhibitors was constructed and validated. A virtual screening of the library with 912 compounds resulted in a hit list of 175 compounds. For the synthesis, 15 compounds were selected with the highest pharmacophore-fit score. 15 compounds were synthesized as potential inhibitors of Pim-1 kinase. Experimental part. The synthetic approach has been developed, and systematic series of new amides of (7-(1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine and (8-(1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine have been synthesized. Conclusions. The compounds obtained are potential inhibitors of Pim-1 kinase. Further studies will focus on the determination of the antitumor activity of the compounds synthesized by in vitro and in vivo methods. triazolopyridine oxadiazole pim-1 protein kinase antitumor activity pharmacophore model virtual screening Chemistry S. M. Kovalenko verfasserin aut Oleg V. Zaremba verfasserin aut O. V. Silin verfasserin aut V. V. Ivanov verfasserin aut S. S. Kovalenko verfasserin aut T. Langer verfasserin aut In Журнал органічної та фармацевтичної хімії National University of Pharmacy (Kharkiv, Ukraine), 2020 17(2019), 3, Seite 5-14 (DE-627)667872000 (DE-600)2625746-4 25181548 nnns volume:17 year:2019 number:3 pages:5-14 https://doi.org/10.24959/ophcj.19.174807 kostenfrei https://doaj.org/article/e7d756312eed487b878994d3f9a20086 kostenfrei http://ophcj.nuph.edu.ua/article/view/ophcj.19.174807/177688 kostenfrei https://doaj.org/toc/2308-8303 Journal toc kostenfrei https://doaj.org/toc/2518-1548 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 17 2019 3 5-14
allfieldsSound	(DE-627)DOAJ042384206 (DE-599)DOAJe7d756312eed487b878994d3f9a20086 DE-627 ger DE-627 rakwb eng rus ukr QD1-999 Veronika R. Karpina verfasserin aut The search for potential inhibitors of protein kinase Pim-1 among new amides of 1,2,4-triazolo[4,3-a]pyridine-3-metanamin with the 1,2,4-oxadiazol cycle in position 7 and 8 2019 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The Pim-1 enzyme from the serine/threonine protein kinase family is a likely target for the targeted therapy of tumors of hematopoietic and lymphoid tissues. Triazolopyridine is an universal scaffold upon which international scientific programs have been launched to develop potential anticancer agents. Aim. To create a pharmacophore model to find new potential Pim-1 inhibitors; conduct a virtual screening of a simulated base of new 1,2,4-triazolo[4,3-a]pyridine derivatives; develop a method for the synthesis of 1,2,4-triazolo[4,3-a]pyridine-3-methanamines with the 1,2,4-isoxadiazole cycle. Results and discussion. In this study, a ligand-based pharmacophore model for Pim-1 inhibitors was constructed and validated. A virtual screening of the library with 912 compounds resulted in a hit list of 175 compounds. For the synthesis, 15 compounds were selected with the highest pharmacophore-fit score. 15 compounds were synthesized as potential inhibitors of Pim-1 kinase. Experimental part. The synthetic approach has been developed, and systematic series of new amides of (7-(1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine and (8-(1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine have been synthesized. Conclusions. The compounds obtained are potential inhibitors of Pim-1 kinase. Further studies will focus on the determination of the antitumor activity of the compounds synthesized by in vitro and in vivo methods. triazolopyridine oxadiazole pim-1 protein kinase antitumor activity pharmacophore model virtual screening Chemistry S. M. Kovalenko verfasserin aut Oleg V. Zaremba verfasserin aut O. V. Silin verfasserin aut V. V. Ivanov verfasserin aut S. S. Kovalenko verfasserin aut T. Langer verfasserin aut In Журнал органічної та фармацевтичної хімії National University of Pharmacy (Kharkiv, Ukraine), 2020 17(2019), 3, Seite 5-14 (DE-627)667872000 (DE-600)2625746-4 25181548 nnns volume:17 year:2019 number:3 pages:5-14 https://doi.org/10.24959/ophcj.19.174807 kostenfrei https://doaj.org/article/e7d756312eed487b878994d3f9a20086 kostenfrei http://ophcj.nuph.edu.ua/article/view/ophcj.19.174807/177688 kostenfrei https://doaj.org/toc/2308-8303 Journal toc kostenfrei https://doaj.org/toc/2518-1548 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 17 2019 3 5-14
language	English Russian Ukrainian
source	In Журнал органічної та фармацевтичної хімії 17(2019), 3, Seite 5-14 volume:17 year:2019 number:3 pages:5-14
sourceStr	In Журнал органічної та фармацевтичної хімії 17(2019), 3, Seite 5-14 volume:17 year:2019 number:3 pages:5-14
format_phy_str_mv	Article
institution	findex.gbv.de
topic_facet	triazolopyridine oxadiazole pim-1 protein kinase antitumor activity pharmacophore model virtual screening Chemistry
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container_title	Журнал органічної та фармацевтичної хімії
authorswithroles_txt_mv	Veronika R. Karpina @@aut@@ S. M. Kovalenko @@aut@@ Oleg V. Zaremba @@aut@@ O. V. Silin @@aut@@ V. V. Ivanov @@aut@@ S. S. Kovalenko @@aut@@ T. Langer @@aut@@
publishDateDaySort_date	2019-01-01T00:00:00Z
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Triazolopyridine is an universal scaffold upon which international scientific programs have been launched to develop potential anticancer agents. Aim. To create a pharmacophore model to find new potential Pim-1 inhibitors; conduct a virtual screening of a simulated base of new 1,2,4-triazolo[4,3-a]pyridine derivatives; develop a method for the synthesis of 1,2,4-triazolo[4,3-a]pyridine-3-methanamines with the 1,2,4-isoxadiazole cycle. Results and discussion. In this study, a ligand-based pharmacophore model for Pim-1 inhibitors was constructed and validated. A virtual screening of the library with 912 compounds resulted in a hit list of 175 compounds. For the synthesis, 15 compounds were selected with the highest pharmacophore-fit score. 15 compounds were synthesized as potential inhibitors of Pim-1 kinase. Experimental part. 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author	Veronika R. Karpina
spellingShingle	Veronika R. Karpina misc QD1-999 misc triazolopyridine misc oxadiazole misc pim-1 protein kinase misc antitumor activity misc pharmacophore model misc virtual screening misc Chemistry The search for potential inhibitors of protein kinase Pim-1 among new amides of 1,2,4-triazolo[4,3-a]pyridine-3-metanamin with the 1,2,4-oxadiazol cycle in position 7 and 8
authorStr	Veronika R. Karpina
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topic_title	QD1-999 The search for potential inhibitors of protein kinase Pim-1 among new amides of 1,2,4-triazolo[4,3-a]pyridine-3-metanamin with the 1,2,4-oxadiazol cycle in position 7 and 8 triazolopyridine oxadiazole pim-1 protein kinase antitumor activity pharmacophore model virtual screening
topic	misc QD1-999 misc triazolopyridine misc oxadiazole misc pim-1 protein kinase misc antitumor activity misc pharmacophore model misc virtual screening misc Chemistry
topic_unstemmed	misc QD1-999 misc triazolopyridine misc oxadiazole misc pim-1 protein kinase misc antitumor activity misc pharmacophore model misc virtual screening misc Chemistry
topic_browse	misc QD1-999 misc triazolopyridine misc oxadiazole misc pim-1 protein kinase misc antitumor activity misc pharmacophore model misc virtual screening misc Chemistry
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hierarchy_parent_title	Журнал органічної та фармацевтичної хімії
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title	The search for potential inhibitors of protein kinase Pim-1 among new amides of 1,2,4-triazolo[4,3-a]pyridine-3-metanamin with the 1,2,4-oxadiazol cycle in position 7 and 8
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title_full	The search for potential inhibitors of protein kinase Pim-1 among new amides of 1,2,4-triazolo[4,3-a]pyridine-3-metanamin with the 1,2,4-oxadiazol cycle in position 7 and 8
author_sort	Veronika R. Karpina
journal	Журнал органічної та фармацевтичної хімії
journalStr	Журнал органічної та фармацевтичної хімії
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lang_code	eng rus ukr
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author_browse	Veronika R. Karpina S. M. Kovalenko Oleg V. Zaremba O. V. Silin V. V. Ivanov S. S. Kovalenko T. Langer
container_volume	17
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author-letter	Veronika R. Karpina
author2-role	verfasserin
title_sort	search for potential inhibitors of protein kinase pim-1 among new amides of 1,2,4-triazolo[4,3-a]pyridine-3-metanamin with the 1,2,4-oxadiazol cycle in position 7 and 8
callnumber	QD1-999
title_auth	The search for potential inhibitors of protein kinase Pim-1 among new amides of 1,2,4-triazolo[4,3-a]pyridine-3-metanamin with the 1,2,4-oxadiazol cycle in position 7 and 8
abstract	The Pim-1 enzyme from the serine/threonine protein kinase family is a likely target for the targeted therapy of tumors of hematopoietic and lymphoid tissues. Triazolopyridine is an universal scaffold upon which international scientific programs have been launched to develop potential anticancer agents. Aim. To create a pharmacophore model to find new potential Pim-1 inhibitors; conduct a virtual screening of a simulated base of new 1,2,4-triazolo[4,3-a]pyridine derivatives; develop a method for the synthesis of 1,2,4-triazolo[4,3-a]pyridine-3-methanamines with the 1,2,4-isoxadiazole cycle. Results and discussion. In this study, a ligand-based pharmacophore model for Pim-1 inhibitors was constructed and validated. A virtual screening of the library with 912 compounds resulted in a hit list of 175 compounds. For the synthesis, 15 compounds were selected with the highest pharmacophore-fit score. 15 compounds were synthesized as potential inhibitors of Pim-1 kinase. Experimental part. The synthetic approach has been developed, and systematic series of new amides of (7-(1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine and (8-(1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine have been synthesized. Conclusions. The compounds obtained are potential inhibitors of Pim-1 kinase. Further studies will focus on the determination of the antitumor activity of the compounds synthesized by in vitro and in vivo methods.
abstractGer	The Pim-1 enzyme from the serine/threonine protein kinase family is a likely target for the targeted therapy of tumors of hematopoietic and lymphoid tissues. Triazolopyridine is an universal scaffold upon which international scientific programs have been launched to develop potential anticancer agents. Aim. To create a pharmacophore model to find new potential Pim-1 inhibitors; conduct a virtual screening of a simulated base of new 1,2,4-triazolo[4,3-a]pyridine derivatives; develop a method for the synthesis of 1,2,4-triazolo[4,3-a]pyridine-3-methanamines with the 1,2,4-isoxadiazole cycle. Results and discussion. In this study, a ligand-based pharmacophore model for Pim-1 inhibitors was constructed and validated. A virtual screening of the library with 912 compounds resulted in a hit list of 175 compounds. For the synthesis, 15 compounds were selected with the highest pharmacophore-fit score. 15 compounds were synthesized as potential inhibitors of Pim-1 kinase. Experimental part. The synthetic approach has been developed, and systematic series of new amides of (7-(1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine and (8-(1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine have been synthesized. Conclusions. The compounds obtained are potential inhibitors of Pim-1 kinase. Further studies will focus on the determination of the antitumor activity of the compounds synthesized by in vitro and in vivo methods.
abstract_unstemmed	The Pim-1 enzyme from the serine/threonine protein kinase family is a likely target for the targeted therapy of tumors of hematopoietic and lymphoid tissues. Triazolopyridine is an universal scaffold upon which international scientific programs have been launched to develop potential anticancer agents. Aim. To create a pharmacophore model to find new potential Pim-1 inhibitors; conduct a virtual screening of a simulated base of new 1,2,4-triazolo[4,3-a]pyridine derivatives; develop a method for the synthesis of 1,2,4-triazolo[4,3-a]pyridine-3-methanamines with the 1,2,4-isoxadiazole cycle. Results and discussion. In this study, a ligand-based pharmacophore model for Pim-1 inhibitors was constructed and validated. A virtual screening of the library with 912 compounds resulted in a hit list of 175 compounds. For the synthesis, 15 compounds were selected with the highest pharmacophore-fit score. 15 compounds were synthesized as potential inhibitors of Pim-1 kinase. Experimental part. The synthetic approach has been developed, and systematic series of new amides of (7-(1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine and (8-(1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine have been synthesized. Conclusions. The compounds obtained are potential inhibitors of Pim-1 kinase. Further studies will focus on the determination of the antitumor activity of the compounds synthesized by in vitro and in vivo methods.
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container_issue	3
title_short	The search for potential inhibitors of protein kinase Pim-1 among new amides of 1,2,4-triazolo[4,3-a]pyridine-3-metanamin with the 1,2,4-oxadiazol cycle in position 7 and 8
url	https://doi.org/10.24959/ophcj.19.174807 https://doaj.org/article/e7d756312eed487b878994d3f9a20086 http://ophcj.nuph.edu.ua/article/view/ophcj.19.174807/177688 https://doaj.org/toc/2308-8303 https://doaj.org/toc/2518-1548
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author2	S. M. Kovalenko Oleg V. Zaremba O. V. Silin V. V. Ivanov S. S. Kovalenko T. Langer
author2Str	S. M. Kovalenko Oleg V. Zaremba O. V. Silin V. V. Ivanov S. S. Kovalenko T. Langer
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up_date	2024-07-04T00:46:02.782Z
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