| Full text | |
| Author(s): Show less - |
Gomez-Garcia, Alejandro
;
Prinz, Ann-Kathrin
;
Jimenez, Daniel A. Acuna
;
Zamora, William J.
;
Barazorda-Ccahuana, Haruna L.
;
Chavez-Fumagalli, Miguel a.
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Valli, Marilia
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Andricopulo, Adriano D.
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Bolzani, Vanderlan da S.
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Olmedo, Dionisio A.
;
Solis, Pablo N.
;
Nunez, Marvin J.
;
Perez, Johny R. Rodriguez
;
Sanchez, Hoover A. Valencia
;
Hernandez, Hector F. Cortes
;
Martinez, Oscar M. Mosquera
;
Koch, Oliver
;
Medina-Franco, Jose L.
Total Authors: 18
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| Document type: | Journal article |
| Source: | MOLECULAR INFORMATICS; v. 43, n. 7, p. 9-pg., 2024-06-21. |
| Abstract | |
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. We discuss 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 profiling is conducted with three different chemoinformatics metrics. image (AU) | |
| FAPESP's process: | 14/50926-0 - INCT 2014: biodiversity and natural products |
| Grantee: | Vanderlan da Silva Bolzani |
| Support Opportunities: | BIOTA-FAPESP Program - Thematic Grants |
| FAPESP's process: | 13/07600-3 - CIBFar - Center for Innovation in Biodiversity and Drug Discovery |
| Grantee: | Glaucius Oliva |
| Support Opportunities: | Research Grants - Research, Innovation and Dissemination Centers - RIDC |