Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

BIOFACQUIM: A Mexican Compound Database of Natural Products

B. Angélica Pilón-Jiménez
ORCID logo ,
Fernanda I. Saldívar-González
,
Bárbara I. Díaz-Eufracio
,
José L. Medina-Franco
* ORCID logo
Version 1 : Received: 29 November 2018 / Approved: 30 November 2018 / Online: 30 November 2018 (10:06:15 CET)

A peer-reviewed article of this Preprint also exists.

Pilón-Jiménez, B.A.; Saldívar-González, F.I.; Díaz-Eufracio, B.I.; Medina-Franco, J.L. BIOFACQUIM: A Mexican Compound Database of Natural Products. Biomolecules 2019, 9, 31. Pilón-Jiménez, B.A.; Saldívar-González, F.I.; Díaz-Eufracio, B.I.; Medina-Franco, J.L. BIOFACQUIM: A Mexican Compound Database of Natural Products. Biomolecules 2019, 9, 31.

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 from natural origin is increasing. Several countries have initiatives in place to construct and maintain compound databases that are representative of their diversity. Examples are Brazil, France, Panama and recently Vietnam. Herein, 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. It is reported the profile of physicochemical properties, scaffold content, and diversity, as well as structural diversity based on molecular fingerprints. BIOFACQUIM is freely available.

Keywords

chemical space; chemical data set; chemoinformatics; consensus diversity plot; drug discovery; molecular diversity; visualization

Subject

Chemistry and Materials Science, Theoretical Chemistry

Copyright: This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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