An Investigation into the Interaction between Double Hydroxide-Based Antioxidant Benzophenone Derivatives and Cyclooxygenase 2

Cyclooxygenases 2 (COX2) is a therapeutic target for many inflammation and oxidative stress associated diseases. A high-throughput technique, biolayer interferometry, was performed to primarily screen the potential COX2 binding activities of twelve newly synthesized double hydroxide-based benzopheno...

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Autores principales:	Yanan Qiao, Yuxi Qin, Lihua Liu, Xi Chen, Yunlan Li, Qingshan Li
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	double hydroxide-based benzophenone derivatives cyclooxygenases 2 interaction biolayer interferometry molecular docking multi-spectroscopy studies Organic chemistry QD241-441
Acceso en línea:	https://doaj.org/article/fb41781bcd1e4bd68ba411d44569b11e
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spelling	oai:doaj.org-article:fb41781bcd1e4bd68ba411d44569b11e2021-11-11T18:35:41ZAn Investigation into the Interaction between Double Hydroxide-Based Antioxidant Benzophenone Derivatives and Cyclooxygenase 210.3390/molecules262166221420-3049https://doaj.org/article/fb41781bcd1e4bd68ba411d44569b11e2021-11-01T00:00:00Zhttps://www.mdpi.com/1420-3049/26/21/6622https://doaj.org/toc/1420-3049Cyclooxygenases 2 (COX2) is a therapeutic target for many inflammation and oxidative stress associated diseases. A high-throughput technique, biolayer interferometry, was performed to primarily screen the potential COX2 binding activities of twelve newly synthesized double hydroxide-based benzophenone derivatives. Binding confirmation was achieved by molecular docking and multi-spectroscopy studies. Such a combined method provided a comprehensive understanding of binding mechanism and conformational changes. Compounds DB2, SC2 and YB2 showed effective COX2 binding activity and underlined the benefits of three phenolic hydroxyl groups adjacent to each other on the B ring. The twelve tested derivatives were further evaluated for antioxidant activity, wherein compound SC2 showed the highest activity. Its concentration for the 50% of maximal effect (EC<sub>50</sub>) value was approximately 1000 times greater than that of the positive controls. SC2 treatment effectively improved biochemical indicators caused by oxidative stress. Overall, compound SC2 could serve as a promising candidate for further development of a new potent COX2 inhibitor.Yanan QiaoYuxi QinLihua LiuXi ChenYunlan LiQingshan LiMDPI AGarticledouble hydroxide-based benzophenone derivativescyclooxygenases 2interactionbiolayer interferometrymolecular dockingmulti-spectroscopy studiesOrganic chemistryQD241-441ENMolecules, Vol 26, Iss 6622, p 6622 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	double hydroxide-based benzophenone derivatives cyclooxygenases 2 interaction biolayer interferometry molecular docking multi-spectroscopy studies Organic chemistry QD241-441
spellingShingle	double hydroxide-based benzophenone derivatives cyclooxygenases 2 interaction biolayer interferometry molecular docking multi-spectroscopy studies Organic chemistry QD241-441 Yanan Qiao Yuxi Qin Lihua Liu Xi Chen Yunlan Li Qingshan Li An Investigation into the Interaction between Double Hydroxide-Based Antioxidant Benzophenone Derivatives and Cyclooxygenase 2
description	Cyclooxygenases 2 (COX2) is a therapeutic target for many inflammation and oxidative stress associated diseases. A high-throughput technique, biolayer interferometry, was performed to primarily screen the potential COX2 binding activities of twelve newly synthesized double hydroxide-based benzophenone derivatives. Binding confirmation was achieved by molecular docking and multi-spectroscopy studies. Such a combined method provided a comprehensive understanding of binding mechanism and conformational changes. Compounds DB2, SC2 and YB2 showed effective COX2 binding activity and underlined the benefits of three phenolic hydroxyl groups adjacent to each other on the B ring. The twelve tested derivatives were further evaluated for antioxidant activity, wherein compound SC2 showed the highest activity. Its concentration for the 50% of maximal effect (EC<sub>50</sub>) value was approximately 1000 times greater than that of the positive controls. SC2 treatment effectively improved biochemical indicators caused by oxidative stress. Overall, compound SC2 could serve as a promising candidate for further development of a new potent COX2 inhibitor.
format	article
author	Yanan Qiao Yuxi Qin Lihua Liu Xi Chen Yunlan Li Qingshan Li
author_facet	Yanan Qiao Yuxi Qin Lihua Liu Xi Chen Yunlan Li Qingshan Li
author_sort	Yanan Qiao
title	An Investigation into the Interaction between Double Hydroxide-Based Antioxidant Benzophenone Derivatives and Cyclooxygenase 2
title_short	An Investigation into the Interaction between Double Hydroxide-Based Antioxidant Benzophenone Derivatives and Cyclooxygenase 2
title_full	An Investigation into the Interaction between Double Hydroxide-Based Antioxidant Benzophenone Derivatives and Cyclooxygenase 2
title_fullStr	An Investigation into the Interaction between Double Hydroxide-Based Antioxidant Benzophenone Derivatives and Cyclooxygenase 2
title_full_unstemmed	An Investigation into the Interaction between Double Hydroxide-Based Antioxidant Benzophenone Derivatives and Cyclooxygenase 2
title_sort	investigation into the interaction between double hydroxide-based antioxidant benzophenone derivatives and cyclooxygenase 2
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/fb41781bcd1e4bd68ba411d44569b11e
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An Investigation into the Interaction between Double Hydroxide-Based Antioxidant Benzophenone Derivatives and Cyclooxygenase 2

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