ArticleJournal of chemical information and modeling2024
Latin American Natural Product Database (LANaPDB): An Update.
Article in Journal of chemical information and modeling, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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Who cites it
8 citing papers in PubMed.
- Computational applications in secondary metabolite discovery (CAiSMD) 2026: focus on secondary metabolites towards drug discovery.Journal of cheminformatics · 2026Article
- CRUSH-Cleavage Rules Using SMIRKS Heuristics: an enhanced molecular fragmentation algorithm.Journal of cheminformatics · 2026Article
- Constellation Plots in KNIME: An Automated Scaffold-Based Workflow for Interactive Chemical Space Visualization.Molecular informatics · 2026Article
- Identification and Functional Analysis of Targets of Dehydrodiisoeugenol in Bladder Cancer Based on Chemoproteomics-Based Profiling.Pharmaceuticals (Basel, Switzerland) · 2026Article
- African Natural Products Database (ANPDB): A resource for exploring the therapeutic potential of natural compounds from Africa.Nucleic acids research · 2026Article
- Update and ADMET Profile of the Latin American Natural Product Database: LANaPDB.Molecular informatics · 2025Article
- Natural Products Repository of Costa Rica (NAPRORE-CR): An Open-Access Database.Journal of chemical information and modeling · 2025Article
- Fragment Libraries from Large and Novel Synthetic Compounds and Natural Products: A Comparative Chemoinformatic Analysis.ACS omega · 2025Article
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Authors and funding
16 authors.
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Abstract
Natural product (NP) databases are crucial tools in computer-aided drug design (CADD). Over the past decade, there has been a worldwide effort to assemble information regarding natural products (NPs) isolated and characterized in certain geographical regions. In 2023, it was published LANaPDB, and to our knowledge, this is the first attempt to gather and standardize all the NP databases of Latin America. Herein, we present and analyze in detail the contents of an updated version of LANaPDB, which includes 619 newly added compounds from Colombia, Costa Rica, and Mexico. The present version of LANaPDB has a total of 13 578 compounds, coming from ten databases of seven Latin American countries. A chemoinformatic characterization of LANaPDB was carried out, which includes the structural classification of the compounds, calculation of six physicochemical properties of pharmaceutical interest, and visualization of the chemical space by employing and comparing two different fingerprints (MACCS keys (166-bit) and Morgan2 (2048-bit)). Furthermore, additional analyses were made, and valuable information not included in the first version of LANaPDB was added, which includes structural diversity, molecular complexity, synthetic feasibility, commercial availability, and reported and predicted biological activity. In addition, the LANaPDB compounds were cross-referenced to two of the largest public chemical compound databases annotated with biological activity: ChEMBL and PubChem.
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