BIOFACQUIM: A Mexican Compound Database of Natural Products
Department of Pharmacy, National Autonomous University of Mexico, Mexico City 04510, Mexico
Author to whom correspondence should be addressed.
Biomolecules 2019, 9(1), 31; https://doi.org/10.3390/biom9010031
Received: 29 November 2018 / Revised: 28 December 2018 / Accepted: 15 January 2019 / Published: 17 January 2019
(This article belongs to the Special Issue New Approaches for the Discovery of Pharmacologically-Active Natural Compounds)
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.