Lignan derivatives potential as Plasmodium falciparum Lactate Dehydrogenase inhibitors: Molecular docking approach of antiplasmodial drug design

Keyphrases

• Affinity Energy 16%
• Antiplasmodial Drugs 100%
• ARG2 16%
• Arginase-1 (Arg-1) 16%
• AutoDock Vina 8%
• Computer-aided Drug Design 8%
• Confidence Value 8%
• Docking Interactions 8%
• Docking Score 8%
• Drug Design 100%
• Drug-likeness 16%
• Energy Value 8%
• ERRAT 8%
• Esters 16%
• Evaluation Results 8%
• Good Quality 8%
• Homology Modeling 16%
• Human Metabolism 8%
• In Silico Evaluation 8%
• In Silico Methods 8%
• Lactate Dehydrogenase Inhibitors 100%
• Lead-like Compounds 8%
• Lead-likeness 8%
• Lignan Derivatives 100%
• Lipinski's Rule of Five 8%
• Low Affinity 8%
• Mode Interaction 8%
• Molecular Docking 100%
• Molecular Docking Analysis 16%
• Molsoft 8%
• Pharmacophore 25%
• Physicochemical Properties 8%
• Plasmodium 8%
• Plasmodium Falciparum Lactate Dehydrogenase 100%
• Potential Identification 8%
• PROCHECK 8%
• Protein Structure 8%
• Ramachandran Plot 16%
• Rule of Five 8%
• Structure Confirmation 8%
• Structure Quality 8%

Pharmacology, Toxicology and Pharmaceutical Science

• Bioavailability 8%
• Computer-Aided Drug Design 8%
• Drug Development 100%
• Lactate Dehydrogenase 100%
• Lead Compound 16%
• Lignan Derivative 100%
• Lipinski's Rule of Five 8%
• Oxidoreductase Inhibitor 100%
• Plasmodium falciparum 100%
• Protein Derivative 8%