AIMC Topic: Schistosomicides

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GNN-DDAS: Drug discovery for identifying anti-schistosome small molecules based on graph neural network.

Journal of computational chemistry Aug 27, 2024
Schistosomiasis is a tropical disease that poses a significant risk to hundreds of millions of people, yet often goes unnoticed. While praziquantel, a widely used anti-schistosome drug, has a low cost and a high cure rate, it has several drawbacks. T...
Humans Neural Networks, Computer Animals Drug Discovery Deep Learning Molecular Structure Small Molecule Libraries Schistosomiasis Schistosoma Schistosomicides
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Schistosomiasis Drug Discovery in the Era of Automation and Artificial Intelligence.

Frontiers in immunology May 31, 2021
Schistosomiasis is a parasitic disease caused by trematode worms of the genus and affects over 200 million people worldwide. The control and treatment of this neglected tropical disease is based on a single drug, praziquantel, which raises concerns ...
Humans Artificial Intelligence Animals Drug Discovery Schistosomiasis Schistosoma Schistosomicides
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Machine learning-driven discovery of antimicrobial peptides targeting the GAPDH-TPI protein-protein interaction in Schistosoma mansoni for novel antischistosomal therapeutics.

Computational biology and chemistry Oct 1, 2025
Schistosomiasis, caused by Schistosoma mansoni, remains a significant public health burden, particularly in endemic regions with limited access to effective treatment. The emergence of resistance to praziquantel necessitates the urgent discovery of n...
Machine Learning Animals Molecular Docking Simulation Drug Discovery Protein Binding Enzyme Inhibitors Triose-Phosphate Isomerase Antimicrobial Peptides Schistosoma mansoni Schistosomicides Glyceraldehyde-3-Phosphate Dehydrogenases
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