In-silico characterization of ECE-1 inhibitors

Abstract Atherosclerosis is the primary cause of CAD and cerebrovascular disease. Endothelin (ET)-1 is a vasoconstrictive peptide implicated in Atherosclerosis pathology. Endothelin-converting enzyme (ECE) is a membrane metalloprotease that generates endothelin. Reported inhibitors of ECE-1 and thei...

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Veröffentlicht in:	Computers in biology and medicine 2012-04, Vol.42 (4), p.446-457
Hauptverfasser:	Ajay Babu, P, Colluru, Viswa Teja S.S, Anaparthy, Naishitha
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Aspartic Acid Endopeptidases - antagonists & inhibitors Aspartic Acid Endopeptidases - chemistry Aspartic Acid Endopeptidases - metabolism Atherosclerosis Binding sites Blood pressure Cardiovascular disease Cholesterol Colleges & universities Crystal structure Databases, Protein Docking ECE-1 Endothelin Endothelin converting enzyme Endothelin-1 - metabolism Endothelin-Converting Enzymes Endothelium Enzyme Inhibitors - chemistry Enzyme Inhibitors - pharmacology Glycopeptides - chemistry Glycopeptides - metabolism Graduate students Humans Hydrogen Bonding Hydrogen bonds Hypertension In-silico characterization Inhibition Inhibitory Concentration 50 Internal Medicine Life sciences Ligands Metalloendopeptidases - antagonists & inhibitors Metalloendopeptidases - chemistry Metalloendopeptidases - metabolism Molecular Dynamics Simulation Molecular weight Molegro virtual docker Other Protein Binding Software Structure-Activity Relationship TSAR
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