AIMC Topic: Plasmodium falciparum
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DeepAlign, a 3D alignment method based on regionalized deep learning for Cryo-EM.
Journal of structural biology
Mar 4, 2021
Cryo Electron Microscopy (Cryo-EM) is currently one of the main tools to reveal the structural information of biological specimens at high resolution. Despite the great development of the techniques involved to solve the biological structures with Cr...
Predicting geographic location from genetic variation with deep neural networks.
eLife
Jun 8, 2020
Most organisms are more closely related to nearby than distant members of their species, creating spatial autocorrelations in genetic data. This allows us to predict the location of origin of a genetic sample by comparing it to a set of samples of kn...
Machine learning analysis plans for randomised controlled trials: detecting treatment effect heterogeneity with strict control of type I error.
Trials
Feb 10, 2020
BACKGROUND: Retrospective exploratory analyses of randomised controlled trials (RCTs) seeking to identify treatment effect heterogeneity (TEH) are prone to bias and false positives. Yet the desire to learn all we can from exhaustive data measurements...
Discovery of potential 1,3,5-Triazine compounds against strains of Plasmodium falciparum using supervised machine learning models.
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences
Dec 25, 2019
The Malaria burden was an escalating global encumbrance and need to be addressed with critical care. Anti-malarial drug discovery was integrated with supervised machine learning (ML) models to identify potent thiazolyl-traizine derivatives. This assi...
Detection of malaria parasites in dried human blood spots using mid-infrared spectroscopy and logistic regression analysis.
Malaria journal
Oct 7, 2019
BACKGROUND: Epidemiological surveys of malaria currently rely on microscopy, polymerase chain reaction assays (PCR) or rapid diagnostic test kits for Plasmodium infections (RDTs). This study investigated whether mid-infrared (MIR) spectroscopy couple...
Deep Learning for Smartphone-Based Malaria Parasite Detection in Thick Blood Smears.
IEEE journal of biomedical and health informatics
Sep 23, 2019
OBJECTIVE: This work investigates the possibility of automated malaria parasite detection in thick blood smears with smartphones.
Application of molecular docking and PSO-SVR intelligent approaches in antimalarial activity prediction of enantiomeric cycloguanil analogues.
SAR and QSAR in environmental research
Nov 1, 2018
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 ...
Machine Learning
Algorithms
Quantitative Structure-Activity Relationship
Plasmodium falciparum
Stereoisomerism
Triazines
Reproducibility of Results
Molecular Structure
Folic Acid Antagonists
Proguanil
Molecular Docking Simulation
Antimalarials
Substrate Specificity
Tetrahydrofolate Dehydrogenase
Protein Binding
Enzyme Inhibitors
Identification of a Novel Clinical Phenotype of Severe Malaria using a Network-Based Clustering Approach.
Scientific reports
Aug 27, 2018
The parasite Plasmodium falciparum is the main cause of severe malaria (SM). Despite treatment with antimalarial drugs, more than 400,000 deaths are reported every year, mainly in African children. The diversity of clinical presentations associated w...
A systematic and prospectively validated approach for identifying synergistic drug combinations against malaria.
Malaria journal
Apr 11, 2018
BACKGROUND: Nearly half of the world's population (3.2 billion people) were at risk of malaria in 2015, and resistance to current therapies is a major concern. While the standard of care includes drug combinations, there is a pressing need to identif...
Machine learning prioritizes synthesis of primaquine ureidoamides with high antimalarial activity and attenuated cytotoxicity.
European journal of medicinal chemistry
Jan 31, 2018
Primaquine (PQ) is a commonly used drug that can prevent the transmission of Plasmodium falciparum malaria, however toxicity limits its use. We prepared five groups of PQ derivatives: amides 1a-k, ureas 2a-k, semicarbazides 3a,b, acylsemicarbazides 4...
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