Natural product databases have a major impact on drug discovery projects and other research areas. The number of public compound databases with molecules from natural origin is increasing. Thus far, several countries have started initiatives to build databases that are representative of their diversity. Examples include France, Brazil, and Panama. Herein, we discuss the advances to build "BIOFACQUIM", a compound database with natural products isolated in Mexico. We will present the assembly, curation, and implementation on a public platform. We will also discuss advances in the chemoinformatic characterization of the content and coverage in chemical space. Specifically, it will be presented the profile of physicochemical properties, scaffold content, and diversity, as well as structural diversity based on molecular fingerprints. Finally, we will also discuss the progress in the profiling of the natural product database for drug discovery, identifying novel compounds with activity as inhibitors of epigenetic targets with emphasis on DNA methyltransferases.

BIOFACQUIM: A compound database of natural products from Mexico

2019 Spring National Meeting

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