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Abstract
Natural product (NP) databases are crucial tools in computer-aided drug design (CADD). Over the last 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, to our knowledge, it 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, visualization of the chemical space, determination of the structural diversity, molecular complexity, synthetic feasibility, commercial availability, predicted and reported 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. The Latin American natural product collection LANaPDB is publicly available and can be downloaded at https://github.com/alexgoga21/LANaPDB-version-2/tree/main.
