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BIOFACQUIM: A Mexican Compound Database of Natural Products.

ABSTRACT: Compound databases of natural products have a major impact on drug discovery projects and other areas of research. The number of databases in the public domain with compounds with natural origins is increasing. Several countries, Brazil, France, Panama and, recently, Vietnam, have initiatives in place to construct and maintain compound databases that are representative of their diversity. In this proof-of-concept study, we discuss the first version of BIOFACQUIM, a novel compound database with natural products isolated and characterized in Mexico. We discuss its construction, curation, and a complete chemoinformatic characterization of the content and coverage in chemical space. The profile of physicochemical properties, scaffold content, and diversity, as well as structural diversity based on molecular fingerprints is reported. BIOFACQUIM is available for free.

SUBMITTER: Pilon-Jimenez BA

PROVIDER: S-EPMC6358837 | biostudies-literature | 2019 Jan

REPOSITORIES: biostudies-literature

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BIOFACQUIM: A Mexican Compound Database of Natural Products.

Pilón-Jiménez B Angélica BA Saldívar-González Fernanda I FI Díaz-Eufracio Bárbara I BI Medina-Franco José L JL

Biomolecules 20190117 1

Compound databases of natural products have a major impact on drug discovery projects and other areas of research. The number of databases in the public domain with compounds with natural origins is increasing. Several countries, Brazil, France, Panama and, recently, Vietnam, have initiatives in place to construct and maintain compound databases that are representative of their diversity. In this proof-of-concept study, we discuss the first version of BIOFACQUIM, a novel compound database with n ...[more]

PMID: 30658522

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