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Approaches to Configuration Determinations of Flexible Marine Natural Products: Advances and Prospects

Flexible marine natural products (MNPs), such as eribulin and bryostatin, play an important role in the development of modern marine drugs. However, due to the multiple chiral centers and geometrical uncertainty of flexible systems, configuration determinations of flexible MNPs face great challenges...

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Autores principales: Huo, Zong-Qing, Zhu, Feng, Zhang, Xing-Wang, Zhang, Xiao, Liang, Hong-Bao, Yao, Jing-Chun, Liu, Zhong, Zhang, Gui-Min, Yao, Qing-Qiang, Qin, Guo-Fei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9143581/
https://www.ncbi.nlm.nih.gov/pubmed/35621984
http://dx.doi.org/10.3390/md20050333
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author Huo, Zong-Qing
Zhu, Feng
Zhang, Xing-Wang
Zhang, Xiao
Liang, Hong-Bao
Yao, Jing-Chun
Liu, Zhong
Zhang, Gui-Min
Yao, Qing-Qiang
Qin, Guo-Fei
author_facet Huo, Zong-Qing
Zhu, Feng
Zhang, Xing-Wang
Zhang, Xiao
Liang, Hong-Bao
Yao, Jing-Chun
Liu, Zhong
Zhang, Gui-Min
Yao, Qing-Qiang
Qin, Guo-Fei
author_sort Huo, Zong-Qing
collection PubMed
description Flexible marine natural products (MNPs), such as eribulin and bryostatin, play an important role in the development of modern marine drugs. However, due to the multiple chiral centers and geometrical uncertainty of flexible systems, configuration determinations of flexible MNPs face great challenges, which, in turn, have led to obstacles in druggability research. To resolve this issue, the comprehensive use of multiple methods is necessary. Additionally, configuration assignment methods, such as X-ray single-crystal diffraction (crystalline derivatives, crystallization chaperones, and crystalline sponges), NMR-based methods (JBCA and Mosher’s method), circular dichroism-based methods (ECCD and ICD), quantum computational chemistry-based methods (NMR calculations, ECD calculations, and VCD calculations), and chemical transformation-based methods should be summarized. This paper reviews the basic principles, characteristics, and applicability of the methods mentioned above as well as application examples to broaden the research and applications of these methods and to provide a reference for the configuration determinations of flexible MNPs.
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spelling pubmed-91435812022-05-29 Approaches to Configuration Determinations of Flexible Marine Natural Products: Advances and Prospects Huo, Zong-Qing Zhu, Feng Zhang, Xing-Wang Zhang, Xiao Liang, Hong-Bao Yao, Jing-Chun Liu, Zhong Zhang, Gui-Min Yao, Qing-Qiang Qin, Guo-Fei Mar Drugs Review Flexible marine natural products (MNPs), such as eribulin and bryostatin, play an important role in the development of modern marine drugs. However, due to the multiple chiral centers and geometrical uncertainty of flexible systems, configuration determinations of flexible MNPs face great challenges, which, in turn, have led to obstacles in druggability research. To resolve this issue, the comprehensive use of multiple methods is necessary. Additionally, configuration assignment methods, such as X-ray single-crystal diffraction (crystalline derivatives, crystallization chaperones, and crystalline sponges), NMR-based methods (JBCA and Mosher’s method), circular dichroism-based methods (ECCD and ICD), quantum computational chemistry-based methods (NMR calculations, ECD calculations, and VCD calculations), and chemical transformation-based methods should be summarized. This paper reviews the basic principles, characteristics, and applicability of the methods mentioned above as well as application examples to broaden the research and applications of these methods and to provide a reference for the configuration determinations of flexible MNPs. MDPI 2022-05-19 /pmc/articles/PMC9143581/ /pubmed/35621984 http://dx.doi.org/10.3390/md20050333 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Review
Huo, Zong-Qing
Zhu, Feng
Zhang, Xing-Wang
Zhang, Xiao
Liang, Hong-Bao
Yao, Jing-Chun
Liu, Zhong
Zhang, Gui-Min
Yao, Qing-Qiang
Qin, Guo-Fei
Approaches to Configuration Determinations of Flexible Marine Natural Products: Advances and Prospects
title Approaches to Configuration Determinations of Flexible Marine Natural Products: Advances and Prospects
title_full Approaches to Configuration Determinations of Flexible Marine Natural Products: Advances and Prospects
title_fullStr Approaches to Configuration Determinations of Flexible Marine Natural Products: Advances and Prospects
title_full_unstemmed Approaches to Configuration Determinations of Flexible Marine Natural Products: Advances and Prospects
title_short Approaches to Configuration Determinations of Flexible Marine Natural Products: Advances and Prospects
title_sort approaches to configuration determinations of flexible marine natural products: advances and prospects
topic Review
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9143581/
https://www.ncbi.nlm.nih.gov/pubmed/35621984
http://dx.doi.org/10.3390/md20050333
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