A Ligand-Based Approach to Mining the Chemogenomic Space of Drugs

Title: A Ligand-Based Approach to Mining the Chemogenomic Space of Drugs

Volume: 11 Issue: 8

Author(s): Elisabet Gregori-Puigjane and Jordi Mestres

Affiliation:

Keywords: Chemogenomics, off-target profiling, drug repurposing, network pharmacology, virtual screening

Abstract: The practical implementation and validation of a ligand-based approach to mining the chemogenomic space of drugs is presented and applied to the in silico target profiling of 767 drugs against 684 targets of therapeutic relevance. The results reveal that drugs targeting aminergic G protein-coupled receptors (GPCRs) show the most promiscuous pharmacological profiles. The detection of cross-pharmacologies between aminergic GPCRs and the opioid, sigma, NMDA, and 5-HT3 receptors aggravate the potential promiscuity of those drugs, predominantly including analgesics, antidepressants, and antipsychotics.

Cite this article as:

Gregori-Puigjane Elisabet and Mestres Jordi, A Ligand-Based Approach to Mining the Chemogenomic Space of Drugs, Combinatorial Chemistry & High Throughput Screening 2008; 11 (8) . https://dx.doi.org/10.2174/138620708785739952