Application of Networking Approaches to Assess the Chemical Diversity, Biogeography, and Pharmaceutical Potential of Verongiida Natural Products
This study provides a review of all isolated natural products (NPs) reported for sponges within the order Verongiida (1960 to May 2020) and includes a comprehensive compilation of their geographic and physico-chemical parameters. Physico-chemical parameters were used in this study to infer pharmacok...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2021-10-01
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| Series: | Marine Drugs |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1660-3397/19/10/582 |
| _version_ | 1797514028225921024 |
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| author | James Lever Robert Brkljača Colin Rix Sylvia Urban |
| author_facet | James Lever Robert Brkljača Colin Rix Sylvia Urban |
| author_sort | James Lever |
| collection | DOAJ |
| description | This study provides a review of all isolated natural products (NPs) reported for sponges within the order Verongiida (1960 to May 2020) and includes a comprehensive compilation of their geographic and physico-chemical parameters. Physico-chemical parameters were used in this study to infer pharmacokinetic properties as well as the potential pharmaceutical potential of NPs from this order of marine sponge. In addition, a network analysis for the NPs produced by the Verongiida sponges was applied to systematically explore the chemical space relationships between taxonomy, secondary metabolite and drug score variables, allowing for the identification of differences and correlations within a dataset. The use of scaffold networks as well as bipartite relationship networks provided a platform to explore chemical diversity as well as the use of chemical similarity networks to link pharmacokinetic properties with structural similarity. This study paves the way for future applications of network analysis procedures in the field of natural products for any order or family. |
| first_indexed | 2024-03-10T06:25:49Z |
| format | Article |
| id | doaj.art-422db8d9bb294bdc9b3c120eaeb4fb4f |
| institution | Directory Open Access Journal |
| issn | 1660-3397 |
| language | English |
| last_indexed | 2024-03-10T06:25:49Z |
| publishDate | 2021-10-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Marine Drugs |
| spelling | doaj.art-422db8d9bb294bdc9b3c120eaeb4fb4f2023-11-22T18:55:45ZengMDPI AGMarine Drugs1660-33972021-10-01191058210.3390/md19100582Application of Networking Approaches to Assess the Chemical Diversity, Biogeography, and Pharmaceutical Potential of Verongiida Natural ProductsJames Lever0Robert Brkljača1Colin Rix2Sylvia Urban3School of Science (Applied Chemistry and Environmental Sciences), RMIT University, GPO Box 2476, Melbourne, VIC 3001, AustraliaMonash Biomedical Imaging, Monash University, Clayton, VIC 3168, AustraliaSchool of Science (Applied Chemistry and Environmental Sciences), RMIT University, GPO Box 2476, Melbourne, VIC 3001, AustraliaSchool of Science (Applied Chemistry and Environmental Sciences), RMIT University, GPO Box 2476, Melbourne, VIC 3001, AustraliaThis study provides a review of all isolated natural products (NPs) reported for sponges within the order Verongiida (1960 to May 2020) and includes a comprehensive compilation of their geographic and physico-chemical parameters. Physico-chemical parameters were used in this study to infer pharmacokinetic properties as well as the potential pharmaceutical potential of NPs from this order of marine sponge. In addition, a network analysis for the NPs produced by the Verongiida sponges was applied to systematically explore the chemical space relationships between taxonomy, secondary metabolite and drug score variables, allowing for the identification of differences and correlations within a dataset. The use of scaffold networks as well as bipartite relationship networks provided a platform to explore chemical diversity as well as the use of chemical similarity networks to link pharmacokinetic properties with structural similarity. This study paves the way for future applications of network analysis procedures in the field of natural products for any order or family.https://www.mdpi.com/1660-3397/19/10/582network analysischeminformaticsverongiida spongesnatural productsin silico mapping |
| spellingShingle | James Lever Robert Brkljača Colin Rix Sylvia Urban Application of Networking Approaches to Assess the Chemical Diversity, Biogeography, and Pharmaceutical Potential of Verongiida Natural Products Marine Drugs network analysis cheminformatics verongiida sponges natural products in silico mapping |
| title | Application of Networking Approaches to Assess the Chemical Diversity, Biogeography, and Pharmaceutical Potential of Verongiida Natural Products |
| title_full | Application of Networking Approaches to Assess the Chemical Diversity, Biogeography, and Pharmaceutical Potential of Verongiida Natural Products |
| title_fullStr | Application of Networking Approaches to Assess the Chemical Diversity, Biogeography, and Pharmaceutical Potential of Verongiida Natural Products |
| title_full_unstemmed | Application of Networking Approaches to Assess the Chemical Diversity, Biogeography, and Pharmaceutical Potential of Verongiida Natural Products |
| title_short | Application of Networking Approaches to Assess the Chemical Diversity, Biogeography, and Pharmaceutical Potential of Verongiida Natural Products |
| title_sort | application of networking approaches to assess the chemical diversity biogeography and pharmaceutical potential of verongiida natural products |
| topic | network analysis cheminformatics verongiida sponges natural products in silico mapping |
| url | https://www.mdpi.com/1660-3397/19/10/582 |
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