Updating and profiling the natural product-likeness of Latin American compound libraries
में बचाया:
| लेखकों: | , , , , , , , , , , , , , , , , , |
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| स्वरूप: | artículo original |
| प्रकाशन तिथि: | 2024 |
| विवरण: | Compound databases of natural products play a crucial role in drug discovery and development projects and have implications in other areas, such as food chemical research, ecology and metabolomics. Recently, we put together the first version of the Latin American Natural Product database (LANaPDB) as a collective effort of researchers from six countries to ensemble a public and representative library of natural products in a geographical region with a large biodiversity. The present work aims to conduct a comparative and extensive profiling of the natural product-likeness of an updated version of LANaPDB and the individual ten compound databases that form part of LANaPDB. The natural product-likeness profile of the Latin American compound databases is contrasted with the profile of other major natural product databases in the public domain and a set of small-molecule drugs approved for clinical use. As part of the extensive characterization, we employed several chemoinformatics metrics of natural product likeness. The results of this study will capture the attention of the global community engaged in natural product databases, not only in Latin America but across the world. |
| देश: | Kérwá |
| संस्थान: | Universidad de Costa Rica |
| Repositorio: | Kérwá |
| भाषा: | Inglés |
| OAI Identifier: | oai:kerwa.ucr.ac.cr:10669/103378 |
| ऑनलाइन पहुंच: | https://onlinelibrary.wiley.com/doi/10.1002/minf.202400052 https://hdl.handle.net/10669/103378 https://doi.org/10.1002/minf.202400052 |
| संकेत शब्द: | chemical space chemoinformatics databases LANaPDB natural products |