AIMC Topic: Trypanocidal Agents

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Predicting anti-trypanosome effect of carbazole-derived compounds by powerful SVM with novel kernel function and comprehensive learning PSO.

Antimicrobial agents and chemotherapy May 29, 2024
In order to predict the anti-trypanosome effect of carbazole-derived compounds by quantitative structure-activity relationship, five models were established by the linear method, random forest, radial basis kernel function support vector machine, lin...
Support Vector Machine Quantitative Structure-Activity Relationship Trypanocidal Agents Carbazoles
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Quantitative Structure-Activity Relationships for Structurally Diverse Chemotypes Having Anti- Activity.

International journal of molecular sciences Jun 8, 2019
Small-molecule compounds that have promising activity against macromolecular targets from occasionally fail when tested in whole-cell phenotypic assays. This outcome can be attributed to many factors, including inadequate physicochemical and pharmac...
Machine Learning Quantitative Structure-Activity Relationship Trypanosoma cruzi Trypanocidal Agents
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Machine Learning Models and Pathway Genome Data Base for Trypanosoma cruzi Drug Discovery.

PLoS neglected tropical diseases Jun 26, 2015
BACKGROUND: Chagas disease is a neglected tropical disease (NTD) caused by the eukaryotic parasite Trypanosoma cruzi. The current clinical and preclinical pipeline for T. cruzi is extremely sparse and lacks drug target diversity.
Humans Machine Learning Female Animals Drug Discovery Mice Computational Biology Disease Models, Animal Mice, Inbred BALB C Cell Line Metabolic Networks and Pathways Genome, Protozoan Bayes Theorem High-Throughput Screening Assays Trypanosoma cruzi Chagas Disease Trypanocidal Agents
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Integrated machine learning, molecular docking and 3D-QSAR based approach for identification of potential inhibitors of trypanosomal N-myristoyltransferase.

Molecular bioSystems Nov 15, 2016
N-Myristoyltransferase (NMT) catalyzes the transfer of myristate to the amino-terminal glycine of a subset of proteins, a co-translational modification involved in trafficking substrate proteins to membrane locations, stabilization and protein-protei...
Machine Learning Algorithms Molecular Docking Simulation Protein Binding Workflow Molecular Dynamics Simulation Enzyme Inhibitors Datasets as Topic Catalytic Domain Parasitic Sensitivity Tests Quantitative Structure-Activity Relationship Binding Sites Trypanocidal Agents Acyltransferases
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