Natural products for treatment of Plasmodium falciparum malaria: An integrated computational approach

Malaria is a life-threatening infectious disease with an estimated 229 million cases in the year 2019 worldwide. Plasmodium falciparum 1-deoxy-d-xylulose-5-phosphate reductoisomerase (PfDXR) is one of the key enzymes in the biosynthetic pathway of isoprenoid, (required for parasite growth and surviv...

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Veröffentlicht in:	Computers in biology and medicine 2021-07, Vol.134, p.104415, Article 104415
Hauptverfasser:	Muhseen, Ziyad Tariq, Hameed, Alaa R., Al-Bhadly, Ola, Ahmad, Sajjad, Li, Guanglin
Format:	Artikel
Sprache:	eng
Schlagworte:	Acids Antibiotics Binding Binding energy Bioactive compounds Bioavailability Biosynthesis Clinical trials Computer applications Crystal structure Drugs Energy Enzymes Fosmidomycin Free energy Herbal medicine Infectious diseases Inhibitors Libraries Ligands Malaria Medicinal plants Molecular docking Molecular dynamics Molecular dynamics simulations Molecular interactions Natural products Oleanolic acid Parasites PfDXR Pharmacokinetics Pharmacology Physiochemistry Phytochemicals Plasmodium falciparum Principal components analysis Proteins Reductoisomerase Research methodology Simulation Stability Vector-borne diseases Virtual screening Xylulose
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