Aspartic Protease Inhibitors Designed from Computer-Generated Templates Bind As Predicted
Novel tripeptide-derived peptidomimetics 1, 7ab, and 8ab, inspired by templates generated by the structure-generating program GrowMol, were synthesized, shown to inhibit Rhizopus chinensis pepsin, and found by X-ray crystallography to bind to the enzyme in the GrowMol-predicted mode. Repetitive eval...
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| Veröffentlicht in: | Organic letters 2001-07, Vol.3 (15), p.2309-2312 |
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| container_title | Organic letters |
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| creator | Ripka, Amy S Satyshur, Kenneth A Bohacek, Regine S Rich, Daniel H |
| description | Novel tripeptide-derived peptidomimetics 1, 7ab, and 8ab, inspired by templates generated by the structure-generating program GrowMol, were synthesized, shown to inhibit Rhizopus chinensis pepsin, and found by X-ray crystallography to bind to the enzyme in the GrowMol-predicted mode. Repetitive evaluation of the computer-generated templates for synthetic feasibility and optimal enzyme interactions led to the designed compounds. |
| doi_str_mv | 10.1021/ol016090+ |
| format | Article |
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| fulltext | fulltext |
| identifier | ISSN: 1523-7060 |
| ispartof | Organic letters, 2001-07, Vol.3 (15), p.2309-2312 |
| issn | 1523-7060 1523-7052 |
| language | eng |
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| source | American Chemical Society; MEDLINE |
| subjects | Aspartic Acid Endopeptidases - antagonists & inhibitors Aspartic Acid Endopeptidases - chemistry Aspartic Acid Endopeptidases - metabolism Computer Simulation Crystallography, X-Ray Drug Design Molecular Mimicry Peptides - chemical synthesis Peptides - chemistry Peptides - metabolism Predictive Value of Tests Protease Inhibitors - chemical synthesis Protease Inhibitors - chemistry Protease Inhibitors - metabolism Protein Conformation Structure-Activity Relationship |
| title | Aspartic Protease Inhibitors Designed from Computer-Generated Templates Bind As Predicted |
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