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

Authors :
Zong-Qing Huo
Feng Zhu
Xing-Wang Zhang
Xiao Zhang
Hong-Bao Liang
Jing-Chun Yao
Zhong Liu
Gui-Min Zhang
Qing-Qiang Yao
Guo-Fei Qin
Source :
Marine drugs. 20(5)
Publication Year :
2022

Abstract

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.

Details

ISSN :
16603397
Volume :
20
Issue :
5
Database :
OpenAIRE
Journal :
Marine drugs
Accession number :
edsair.doi.dedup.....9faa9dcfa6bee387bdd670ab5b951eb7