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CMNPD: a comprehensive marine natural products database towards facilitating drug discovery from the ocean

Marine organisms are expected to be an important source of inspiration for drug discovery after terrestrial plants and microorganisms. Despite the remarkable progress in the field of marine natural products (MNPs) chemistry, there are only a few open access databases dedicated to MNPs research. To m...

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Detalles Bibliográficos
Autores principales: Lyu, Chuanyu, Chen, Tong, Qiang, Bo, Liu, Ningfeng, Wang, Heyu, Zhang, Liangren, Liu, Zhenming
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7779072/
https://www.ncbi.nlm.nih.gov/pubmed/32986829
http://dx.doi.org/10.1093/nar/gkaa763
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author Lyu, Chuanyu
Chen, Tong
Qiang, Bo
Liu, Ningfeng
Wang, Heyu
Zhang, Liangren
Liu, Zhenming
author_facet Lyu, Chuanyu
Chen, Tong
Qiang, Bo
Liu, Ningfeng
Wang, Heyu
Zhang, Liangren
Liu, Zhenming
author_sort Lyu, Chuanyu
collection PubMed
description Marine organisms are expected to be an important source of inspiration for drug discovery after terrestrial plants and microorganisms. Despite the remarkable progress in the field of marine natural products (MNPs) chemistry, there are only a few open access databases dedicated to MNPs research. To meet the growing demand for mining and sharing for MNPs-related data resources, we developed CMNPD, a comprehensive marine natural products database based on manually curated data. CMNPD currently contains more than 31 000 chemical entities with various physicochemical and pharmacokinetic properties, standardized biological activity data, systematic taxonomy and geographical distribution of source organisms, and detailed literature citations. It is an integrated platform for structure dereplication (assessment of novelty) of (marine) natural products, discovery of lead compounds, data mining of structure-activity relationships and investigation of chemical ecology. Access is available through a user-friendly web interface at https://www.cmnpd.org. We are committed to providing a free data sharing platform for not only professional MNPs researchers but also the broader scientific community to facilitate drug discovery from the ocean.
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spelling pubmed-77790722021-01-07 CMNPD: a comprehensive marine natural products database towards facilitating drug discovery from the ocean Lyu, Chuanyu Chen, Tong Qiang, Bo Liu, Ningfeng Wang, Heyu Zhang, Liangren Liu, Zhenming Nucleic Acids Res Database Issue Marine organisms are expected to be an important source of inspiration for drug discovery after terrestrial plants and microorganisms. Despite the remarkable progress in the field of marine natural products (MNPs) chemistry, there are only a few open access databases dedicated to MNPs research. To meet the growing demand for mining and sharing for MNPs-related data resources, we developed CMNPD, a comprehensive marine natural products database based on manually curated data. CMNPD currently contains more than 31 000 chemical entities with various physicochemical and pharmacokinetic properties, standardized biological activity data, systematic taxonomy and geographical distribution of source organisms, and detailed literature citations. It is an integrated platform for structure dereplication (assessment of novelty) of (marine) natural products, discovery of lead compounds, data mining of structure-activity relationships and investigation of chemical ecology. Access is available through a user-friendly web interface at https://www.cmnpd.org. We are committed to providing a free data sharing platform for not only professional MNPs researchers but also the broader scientific community to facilitate drug discovery from the ocean. Oxford University Press 2020-09-28 /pmc/articles/PMC7779072/ /pubmed/32986829 http://dx.doi.org/10.1093/nar/gkaa763 Text en © The Author(s) 2020. Published by Oxford University Press on behalf of Nucleic Acids Research. http://creativecommons.org/licenses/by/4.0/ This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Database Issue
Lyu, Chuanyu
Chen, Tong
Qiang, Bo
Liu, Ningfeng
Wang, Heyu
Zhang, Liangren
Liu, Zhenming
CMNPD: a comprehensive marine natural products database towards facilitating drug discovery from the ocean
title CMNPD: a comprehensive marine natural products database towards facilitating drug discovery from the ocean
title_full CMNPD: a comprehensive marine natural products database towards facilitating drug discovery from the ocean
title_fullStr CMNPD: a comprehensive marine natural products database towards facilitating drug discovery from the ocean
title_full_unstemmed CMNPD: a comprehensive marine natural products database towards facilitating drug discovery from the ocean
title_short CMNPD: a comprehensive marine natural products database towards facilitating drug discovery from the ocean
title_sort cmnpd: a comprehensive marine natural products database towards facilitating drug discovery from the ocean
topic Database Issue
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7779072/
https://www.ncbi.nlm.nih.gov/pubmed/32986829
http://dx.doi.org/10.1093/nar/gkaa763
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