Computer-based design of novel HIV-1 entry inhibitors: neomycin conjugated to arginine peptides at two specific sites

Aminoglycoside–arginine conjugates (AAC and APAC) are multi-target inhibitors of human immunodeficiency virus type-1 (HIV-1). Here, we predict new conjugates of neomycin with two arginine peptide chains binding at specific sites on neomycin [poly-arginine-neomycin-poly-arginine (PA-Neo-PA)]. The rat...

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Veröffentlicht in:	Journal of molecular modeling 2009-03, Vol.15 (3), p.281-294
Hauptverfasser:	Berchanski, Alexander, Lapidot, Aviva
Format:	Artikel
Sprache:	eng
Schlagworte:	Aminoglycosides - chemistry Anti-HIV Agents - chemistry Anti-HIV Agents - metabolism Arginine - chemistry Arginine - metabolism Characterization and Evaluation of Materials Chemistry Chemistry and Materials Science Computer Appl. in Life Sciences Computer Applications in Chemistry Computer Simulation Drug Design HIV Envelope Protein gp120 - antagonists & inhibitors HIV Envelope Protein gp120 - chemistry HIV Envelope Protein gp120 - metabolism HIV-1 - drug effects Humans Ligands Models, Molecular Molecular Medicine Neomycin - analogs & derivatives Neomycin - chemistry Neomycin - metabolism Oligopeptides - chemistry Oligopeptides - metabolism Original Paper Peptides - chemistry Peptides - metabolism Protein Synthesis Inhibitors - chemistry Protein Synthesis Inhibitors - metabolism Receptors, CXCR4 - antagonists & inhibitors Receptors, CXCR4 - chemistry Receptors, CXCR4 - metabolism Static Electricity Theoretical and Computational Chemistry
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