Targeting trypanosomes: how chemogenomics and artificial intelligence can guide drug discovery

n this review, we discuss how genomics is being used for drug discovery in trypanosomatids.

2022 SAP A drug-target prioritization strategy using the TDR Targets database leads to novel trypanocidal compounds with known active functional groups

Only got two mins? The drug repurposing approach to drug discovery for neglected diseases has shown to be effective to find potential therapeutic agents. For Chagas disease, in particular, with some of these agents even making it to clinical trials. We have shown that a programmatic approach for drug repurposing, using intensive chemogenic data integration strategies, can recall known bioactive compounds and druggable targets for a selected pathogen species, and can also recommend novel drug-target pairs for further experimental validation (Berenstein et al, 2016).

Screening and Identification of Metacaspase Inhibitors: Evaluation of Inhibition Mechanism and Trypanocidal Activity

A common strategy to identify new antiparasitic agents is the targeting of proteases, due to their essential contributions to parasite growth and development. Metacaspases (MCAs) are cysteine proteases present in fungi, protozoa, and plants. These …

From yeast to tryps: repurposing strategies through conserved druggable modules

Computational repositioning of bioactive compounds from large chemogenomic screens: identification of conserved druggable modules between yeasts and trypanosomes

TDR Targets: driving drug discovery for human pathogens through intensive chemogenomic data integration

Mind the gap: Bridging the knowledge rift between model organisms and pathogens causing neglected diseases

TDR Targets 6: Driving drug discovery for human pathogens through intensive chemogenomic data integration

TDR Targets, a chemogenomics resource for Neglected Diseases

High-throughput screening of trypanocidal agents

Identification and repurposing of bioactive compounds for Chagas disease: combining chemogenomics with high-throughput phenotypic screening


Data integration for target prioritization and drug discovery or repurposing

Potent and selective inhibitors for M32 metallocarboxypeptidases identified from high-throughput screening of anti-kinetoplastid chemical boxes

Identification of the first inhibitors and chemical tools for the M32 family of carboxypeptidases

TDR Targets: integrated chemogenomic mining of pathogen genomes for drug discovery

A recap on updates & updagrades for TDR Targets chemogenomics resource to aid on drug discovery, repurposing and develeopment for neglected diseases