Functional group and diversity analysis of BIOFACQUIM: A Mexican natural product database.

ABSTRACT: Background: Natural product databases are important in drug discovery and other research areas. An analysis of its structural content, as well as functional group occurrence, provides a useful overview, as well as a means of comparison with related databases. BIOFACQUIM is an emerging database of natural products characterized and isolated in Mexico. Herein, we discuss the results of a first systematic functional group analysis and global diversity of an updated version of BIOFACQUIM. Methods: BIOFACQUIM was augmented through a literature search and data curation. A structural content analysis of the dataset was performed. This involved a functional group analysis with a novel algorithm to automatically identify all functional groups in a molecule and an assessment of the global diversity

SUBMITTER: Sanchez-Cruz N 

PROVIDER: S-EPMC6993822 | biostudies-literature | 2019

REPOSITORIES: biostudies-literature