Marine Drug Discovery through Computer-Aided Approaches
Computer-Aided Ligand- and Structure-based methodologies are an evolving field in the discovery of Marine Drugs. Computational approaches, chemistry simulation methods using bioinformatics and chemoinformatics tools and databases can be successfully used in the discovery, design and development of n...
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| Materialtyp: | Online |
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| Språk: | engelska |
| Utgiven: |
MDPI - Multidisciplinary Digital Publishing Institute
2024
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| Ämnen: | |
| Länkar: | ONIX_20240514_9783036599113_11 |
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| _version_ | 1869524851580993536 |
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| collection | Directory of Open Access Books |
| description | Computer-Aided Ligand- and Structure-based methodologies are an evolving field in the discovery of Marine Drugs. Computational approaches, chemistry simulation methods using bioinformatics and chemoinformatics tools and databases can be successfully used in the discovery, design and development of new chemical agents for therapeutic purposes by assisting in the structure elucidation of secondary metabolites, repurposing known Marine Natural Products (MNPs) for innovative therapeutic targets, identifying novel hits or leads against selected therapeutic targets and revealing mechanisms of action and supporting medicinal chemistry lead optimization programs. This Special Issue of Marine Drugs entitled “Marine Drug Discovery through Computer-Aided Approaches” aims to provide a comprehensive overview of the great variety of existing and advanced Computer-Aided Approaches for the discovery and identification of molecular agents with added value and health-promoting properties for the development of biotechnological and medical applications. |
| format | Online |
| id | doab-20.500.12854ir-137408 |
| institution | Directory of Open Access Books |
| language | eng |
| publishDate | 2024 |
| publishDateRange | 2024 |
| publishDateSort | 2024 |
| publisher | MDPI - Multidisciplinary Digital Publishing Institute |
| publisherStr | MDPI - Multidisciplinary Digital Publishing Institute |
| record_format | ojs |
| spelling | doab-20.500.12854ir-1374082024-05-14T12:57:26Z Marine Drug Discovery through Computer-Aided Approaches Gaudencio, Susana P Pereira, Florbela chemoinformatics bioinformatics dereplication machine learning techniques Marine Natural Products databases chemical space biological space quantitative structure&ndash activity relationship (QSAR) molecular docking computer-aided drug design (CADD) computer&ndash assisted structure elucidation (CASE) drug discovery drug repurposing blue biotechnology thema EDItEUR::U Computing and Information Technology::UY Computer science Computer-Aided Ligand- and Structure-based methodologies are an evolving field in the discovery of Marine Drugs. Computational approaches, chemistry simulation methods using bioinformatics and chemoinformatics tools and databases can be successfully used in the discovery, design and development of new chemical agents for therapeutic purposes by assisting in the structure elucidation of secondary metabolites, repurposing known Marine Natural Products (MNPs) for innovative therapeutic targets, identifying novel hits or leads against selected therapeutic targets and revealing mechanisms of action and supporting medicinal chemistry lead optimization programs. This Special Issue of Marine Drugs entitled “Marine Drug Discovery through Computer-Aided Approaches” aims to provide a comprehensive overview of the great variety of existing and advanced Computer-Aided Approaches for the discovery and identification of molecular agents with added value and health-promoting properties for the development of biotechnological and medical applications. 2024-05-14T12:57:15Z 2024-05-14T12:57:15Z 2024 book ONIX_20240514_9783036599113_11 9783036599113 9783036599120 https://directory.doabooks.org/handle/20.500.12854/137408 eng application/octet-stream Attribution-NonCommercial-NoDerivatives 4.0 International https://mdpi.com/books/pdfview/book/8560 https://mdpi.com/books/pdfview/book/8560 MDPI - Multidisciplinary Digital Publishing Institute 10.3390/books978-3-0365-9912-0 10.3390/books978-3-0365-9912-0 46cabcaa-dd94-4bfe-87b4-55023c1b36d0 9783036599113 9783036599120 202 open access |
| spellingShingle | chemoinformatics bioinformatics dereplication machine learning techniques Marine Natural Products databases chemical space biological space quantitative structure&ndash activity relationship (QSAR) molecular docking computer-aided drug design (CADD) computer&ndash assisted structure elucidation (CASE) drug discovery drug repurposing blue biotechnology thema EDItEUR::U Computing and Information Technology::UY Computer science Marine Drug Discovery through Computer-Aided Approaches |
| title | Marine Drug Discovery through Computer-Aided Approaches |
| title_full | Marine Drug Discovery through Computer-Aided Approaches |
| title_fullStr | Marine Drug Discovery through Computer-Aided Approaches |
| title_full_unstemmed | Marine Drug Discovery through Computer-Aided Approaches |
| title_short | Marine Drug Discovery through Computer-Aided Approaches |
| title_sort | marine drug discovery through computer aided approaches |
| topic | chemoinformatics bioinformatics dereplication machine learning techniques Marine Natural Products databases chemical space biological space quantitative structure&ndash activity relationship (QSAR) molecular docking computer-aided drug design (CADD) computer&ndash assisted structure elucidation (CASE) drug discovery drug repurposing blue biotechnology thema EDItEUR::U Computing and Information Technology::UY Computer science |
| topic_facet | chemoinformatics bioinformatics dereplication machine learning techniques Marine Natural Products databases chemical space biological space quantitative structure&ndash activity relationship (QSAR) molecular docking computer-aided drug design (CADD) computer&ndash assisted structure elucidation (CASE) drug discovery drug repurposing blue biotechnology thema EDItEUR::U Computing and Information Technology::UY Computer science |
| url | ONIX_20240514_9783036599113_11 |