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Application of molecular docking and PSO-SVR intelligent approaches in antimalarial activity prediction of enantiomeric cycloguanil analogues.

SAR and QSAR in environmental research 30381963
A series of antifolate compounds, i.e. 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine, or cycloguanil analogues, have shown effective inhibiting properties against Plasmodium falciparum dihydrofolate reductase (PfDHFR). In this work, the ...
Algorithms Antimalarials Enzyme Inhibitors Folic Acid Antagonists Machine Learning Molecular Docking Simulation Molecular Structure Plasmodium falciparum Proguanil Protein Binding Quantitative Structure-Activity Relationship Reproducibility of Results Stereoisomerism Substrate Specificity Tetrahydrofolate Dehydrogenase Triazines
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