Related Experiment Video
Updated: May 13, 2025

Discovery of New Intracellular Pathogens by Amoebal Coculture and Amoebal Enrichment Approaches
Published on: October 27, 2013
Discovery of Trypanosoma cruzi Carbonic Anhydrase Inhibitors by a Combination of Ligand- and Structure-Based Virtual
Denis N Prada Gori1, Emilia M Barrionuevo1, Lucas N Alberca1
1Laboratory of Bioactive Research and Development (LIDeB), Medicinal Chemistry, Department of Biological Sciences, Faculty of Exact Sciences, National University of La Plata, La Plata, Buenos Aires 1900, Argentina.
Abstract:
Trypanosoma cruzi carbonic anhydrase (TcCA) has emerged as a promising therapeutic target for the treatment of Chagas disease. In this study, a sequential virtual screening strategy was employed to identify potential TcCA inhibitors. The workflow consisted of ligand-based virtual screening applied to diverse chemical libraries, followed by target-based molecular docking to refine the selection of compounds. Six candidates were selected for their in vitro evaluation against both the enzyme and the parasite. All of them confirmed inhibitory activity against TcCA, with three exhibiting Kis in the nanomolar or submicromolar range. Among these, Nitrofurantoin demonstrated significant inhibitory activity, with a Ki of 93 nM against TcCA and EC50 of 14.82 μM against T. cruzi trypomastigotes. These findings suggest that Nitrofurantoin is a promising lead compound for further optimization and highlight the therapeutic potential of TcCA as a drug target in Chagas disease.
Related Concept Videos
Determination
Cognitive Learning
E. C. Tolman's theory of purposive behavior emphasizes that much behavior is goal-directed. He argued that to understand behavior, we must look at the entire sequence of actions leading to a goal. For instance, high school students study hard, not just due to past reinforcement but also to achieve the goal of getting into a good college.
Tolman introduced the idea that behavior is influenced by...
Biodiversity and Human Values
Diffusion
The Scientific Method
Generally, predictions are tested using carefully-designed experiments. Based on the outcome of these...
Data Collection by Experiments
An example of the experimental method is a public...

