A critical assessment of bioactive compounds databases

Future Med Chem. 2024;16(10):1029-1051. doi: 10.1080/17568919.2024.2342203. Epub 2024 May 20.

Abstract

Compound databases (DBs) are essential tools for drug discovery. The number of DBs in public domain is increasing, so it is important to analyze these DBs. In this article, the main characteristics of 64 DBs will be presented. The methodological strategy used was a literature search. To analyze the characteristics obtained in the review, the DBs were categorized into two subsections: Open Access and Commercial DBs. Open access includes generalist DBs (containing compounds of diverse origins), DBs with specific applicability, DBs exclusive to natural products and those containing compounds with specific pharmacological action. The literature review showed that there are challenges to making these repositories available, such as standardizing information curation practices and funding to maintain and sustain them.

Keywords: chemical library; database; drug design; virtual screening.

Plain language summary

[Box: see text].

Publication types

  • Review

MeSH terms

  • Biological Products* / chemistry
  • Biological Products* / pharmacology
  • Databases, Chemical
  • Databases, Factual
  • Databases, Pharmaceutical
  • Drug Discovery*
  • Humans

Substances

  • Biological Products