Computational Drug Discovery in Chemotherapy-induced Alopecia via Text Mining and Biomedical Databases

Clin Ther. 2019 May;41(5):972-980.e8. doi: 10.1016/j.clinthera.2019.04.003. Epub 2019 Apr 25.

Abstract

Purpose: Chemotherapy-induced alopecia (CIA) is a common and often stressful adverse effect associated with chemotherapy. CIA can cause more psychosocial pressure in patients, including effects on sexuality, self-esteem, and social relationships. We analyzed publicly available data to identify drugs formulated for topical use targeting the relevant CIA molecular pathways by using computational tools.

Methods: The genes associated with CIA were determined by text mining, and the gene ontology of the gene set was studied using the Functional Enrichment analysis tool. Protein-protein interaction network analysis was performed using the String database. Enriched gene sets belonging to the identified pathways were queried against the Drug-Gene Interaction database to find drug candidates for topical use in CIA.

Findings: Our analysis identified 427 genes common to CIA text-mining concepts. Gene enrichment analysis and protein-protein interaction analysis yielded 19 genes potentially targetable by a total of 29 drugs that could possibly be formulated for topical application.

Implications: The findings from the present analysis would give a new thought to help discover more effective agents, and present tremendous opportunities to study novel target pharmacology and facilitate drug repositioning efforts in the pharmaceutical industry.

Keywords: chemotherapy-induced alopecia; drugs; text mining.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alopecia / chemically induced
  • Alopecia / drug therapy*
  • Antineoplastic Agents / adverse effects
  • Antineoplastic Agents / therapeutic use
  • Computational Biology
  • Data Mining*
  • Databases, Factual
  • Drug Discovery*
  • Drug Repositioning
  • Humans

Substances

  • Antineoplastic Agents