KFU. Card publication. 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

Form of presentation

Articles in international journals and collections

Year of publication

2021

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Authors, employees of KFU

Gilfanov Ilmir Rafisovich, author

Efimov Sergey Vladimirovich, author

Kayumov Ayrat Rashitovich, author

Klochkov Vladimir Vasilevich, author

Ostolopovskaya Olga Vyacheslavovna, author

Pavelev Roman Sergeevich, author

Khodov Ilya Anatolevich, author

Bibliographic description in the original language

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.

Annotation

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.

Keywords

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

The name of the journal

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

Please use this ID to quote from or refer to the card

https://repository.kpfu.ru/eng/?p_id=260708&p_lang=2

Full metadata record

Field DC	Value	Language
dc.contributor.author	Gilfanov Ilmir Rafisovich	ru_RU
dc.contributor.author	Efimov Sergey Vladimirovich	ru_RU
dc.contributor.author	Kayumov Ayrat Rashitovich	ru_RU
dc.contributor.author	Klochkov Vladimir Vasilevich	ru_RU
dc.contributor.author	Ostolopovskaya Olga Vyacheslavovna	ru_RU
dc.contributor.author	Pavelev Roman Sergeevich	ru_RU
dc.contributor.author	Khodov Ilya Anatolevich	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/eng/?p_id=260708&p_lang=2	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	Articles in international journals and collections	ru_RU