КФУ. Карточка публикации. Conjugate of meso-carboxysubstituted-BODIPY with thioterpenoid as an effective fluorescent probe: Synthesis, structure, spectral characteristics, and molecular docking

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CONJUGATE OF MESO-CARBOXYSUBSTITUTED-BODIPY WITH THIOTERPENOID AS AN EFFECTIVE FLUORESCENT PROBE: SYNTHESIS, STRUCTURE, SPECTRAL CHARACTERISTICS, AND MOLECULAR DOCKING

Форма представления

Статьи в зарубежных журналах и сборниках

Год публикации

2021

Язык

английский

Авторы, сотрудники КФУ

Гильфанов Ильмир Рафисович, автор

Ефимов Сергей Владимирович, автор

Каюмов Айрат Рашитович, автор

Клочков Владимир Васильевич, автор

Остолоповская Ольга Вячеславовна, автор

Павельев Роман Сергеевич, автор

Ходов Илья Анатольевич, автор

Библиографическое описание на языке оригинала

Guseva G.B, Antina E.V, Berezin M.B, Conjugate of meso-carboxysubstituted-BODIPY with thioterpenoid as an effective fluorescent probe: Synthesis, structure, spectral characteristics, and molecular docking//Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. - 2021. - Vol., Is.. - Art. №120638.

Аннотация

This paper is devoted to the design of a fluorescent probe based on meso-carboxysubstituted-BODIPY with a thioterpene fragment. The functional replacement of the methoxy group in the BODIPY molecule on a thioterpene fragment was carried out in order to find out the antiplatelet and anticoagulant action mechanisms of thioterpenoids and to assess the membrane and receptor factors contributions. The molecular structure of the conjugate was confirmed via UV/vis-, NMR- and MS-spectra. It is found that the probe is a high fluorescence quantum yield (to ∼ 100%) in the blue-green region at 509–516 nm. Molecular docking of all studied molecules showed that the BODIPY with terpenoid conjugation is an excellent way to increase their affinity to platelet receptor P2Y12.

Ключевые слова

BODIPY, Thioterpenoid, Conjugate, Structure, Spectral properties, Molecular docking

Название журнала

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

URL

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85120326609&doi=10.1016%2fj.saa.2021.120638&partnerID=40&md5=7f88ebdf9d635e51e5b94a55ea1523e0

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https://repository.kpfu.ru/?p_id=260708

Полная запись метаданных

Поле DC	Значение	Язык
dc.contributor.author	Гильфанов Ильмир Рафисович	ru_RU
dc.contributor.author	Ефимов Сергей Владимирович	ru_RU
dc.contributor.author	Каюмов Айрат Рашитович	ru_RU
dc.contributor.author	Клочков Владимир Васильевич	ru_RU
dc.contributor.author	Остолоповская Ольга Вячеславовна	ru_RU
dc.contributor.author	Павельев Роман Сергеевич	ru_RU
dc.contributor.author	Ходов Илья Анатольевич	ru_RU
dc.date.accessioned	2021-01-01T00:00:00Z	ru_RU
dc.date.available	2021-01-01T00:00:00Z	ru_RU
dc.date.issued	2021	ru_RU
dc.identifier.citation	Guseva G.B, Antina E.V, Berezin M.B, Conjugate of meso-carboxysubstituted-BODIPY with thioterpenoid as an effective fluorescent probe: Synthesis, structure, spectral characteristics, and molecular docking//Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. - 2021. - Vol., Is.. - Art. №120638.	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/?p_id=260708	ru_RU
dc.description.abstract	Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy	ru_RU
dc.description.abstract	This paper is devoted to the design of a fluorescent probe based on meso-carboxysubstituted-BODIPY with a thioterpene fragment. The functional replacement of the methoxy group in the BODIPY molecule on a thioterpene fragment was carried out in order to find out the antiplatelet and anticoagulant action mechanisms of thioterpenoids and to assess the membrane and receptor factors contributions. The molecular structure of the conjugate was confirmed via UV/vis-, NMR- and MS-spectra. It is found that the probe is a high fluorescence quantum yield (to ∼ 100%) in the blue-green region at 509–516 nm. Molecular docking of all studied molecules showed that the BODIPY with terpenoid conjugation is an excellent way to increase their affinity to platelet receptor P2Y12.	ru_RU
dc.language.iso	ru	ru_RU
dc.subject	BODIPY	ru_RU
dc.subject	Thioterpenoid	ru_RU
dc.subject	Conjugate	ru_RU
dc.subject	Structure	ru_RU
dc.subject	Spectral properties	ru_RU
dc.subject	Molecular docking	ru_RU
dc.title	Conjugate of meso-carboxysubstituted-BODIPY with thioterpenoid as an effective fluorescent probe: Synthesis, structure, spectral characteristics, and molecular docking	ru_RU
dc.type	Статьи в зарубежных журналах и сборниках	ru_RU