Molecular modeling on pyruvate phosphate dikinase of Entamoeba histolytica and in silico virtual screening for novel inhibitors

Pyruvate phosphate dikinase (PPDK) is the key enzyme essential for the glycolytic pathway in most common and perilous parasite Entamoeba histolytica . Inhibiting the function of this enzyme could control the wide spread of intestinal infections caused by Entamoeba histolytica in humans. With this ob...

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Veröffentlicht in:	Journal of computer-aided molecular design 2008-09, Vol.22 (9), p.647-660
Hauptverfasser:	Stephen, Preyesh, Vijayan, Ramachandran, Bhat, Audesh, Subbarao, N., Bamezai, R. N. K.
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Amino Acid Sequence Animal Anatomy Animals Binding Sites Chemistry Chemistry and Materials Science Computer Applications in Chemistry Computer Simulation Databases, Factual Drug Design Entamoeba histolytica - enzymology Enzyme Inhibitors - chemistry Enzyme Inhibitors - pharmacology Histology Kinases Models, Chemical Models, Molecular Molecular biology Molecular Conformation Molecular Sequence Data Molecular Structure Morphology Parasites Pathology Pharmaceutical Preparations - chemistry Pharmacology Phosphates Phylogeny Physical Chemistry Protein Conformation Proteins Pyruvate, Orthophosphate Dikinase - antagonists & inhibitors Pyruvate, Orthophosphate Dikinase - chemistry Pyruvate, Orthophosphate Dikinase - metabolism Pyruvates - chemistry Sequence Homology, Amino Acid
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