AIMC Topic: Protozoan Proteins

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Antileishmanial activity of novel indolyl-coumarin hybrids: Design, synthesis, biological evaluation, molecular docking study and in silico ADME prediction.

Bioorganic & medicinal chemistry letters Dec 24, 2015
In present work we have designed and synthesized total twelve novel 3-(3-(1H-indol-3-yl)-3-phenylpropanoyl)-4-hydroxy-2H-chromen-2-one derivatives 13(a-l) using Ho(3+) doped CoFe2O4 nanoparticles as catalyst and evaluated for their potential antileis...
Humans Molecular Docking Simulation Drug Design Antioxidants Cell Survival Structure-Activity Relationship HeLa Cells Inhibitory Concentration 50 Enzyme Inhibitors Antiprotozoal Agents Protozoan Proteins Coumarins Binding Sites Leishmania Oxidoreductases Protein Structure, Tertiary
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Cheminformatics Based Machine Learning Models for AMA1-RON2 Abrogators for Inhibiting Plasmodium falciparum Erythrocyte Invasion.

Molecular informatics Jul 17, 2015
Malaria remains a dreadful disease by putting every year about 3.4 billion people at risk and resulting into mortality of 627 thousand people worldwide. Existing therapies based upon Quinines and Artemisinin-based combination therapies have started s...
Humans Machine Learning Membrane Proteins Plasmodium falciparum Models, Biological Malaria, Falciparum Erythrocytes Protozoan Proteins Antigens, Protozoan
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Identification of therapeutics against PfPK6 protein of Plasmodium falciparum: Structure and Deep Learning approach.

Experimental parasitology Jun 1, 2025
The Plasmodium falciparum Protein Kinase 6 (PfPK6) is a serine/threonine protein kinase categorized under the CMGC group, displaying both cyclin-dependent kinases (CDKs) and mitogen-activated protein kinases (MAPKs) activity. Previous research has in...
Humans Molecular Docking Simulation Deep Learning Protein Serine-Threonine Kinases Plasmodium falciparum Molecular Dynamics Simulation Antimalarials Protozoan Proteins Protein Kinase Inhibitors
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Positive Predictive Value Surfaces as a Complementary Tool to Assess the Performance of Virtual Screening Methods.

Mini reviews in medicinal chemistry Jan 1, 2020
BACKGROUND: Since their introduction in the virtual screening field, Receiver Operating Characteristic (ROC) curve-derived metrics have been widely used for benchmarking of computational methods and algorithms intended for virtual screening applicati...
Machine Learning Animals ROC Curve Area Under Curve Seizures Anticonvulsants Protozoan Proteins Quantitative Structure-Activity Relationship 4-Aminobutyrate Transaminase Trypanosoma
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