Structural highlights
Publication Abstract from PubMed
[reaction: see text] 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.
Aspartic protease inhibitors designed from computer-generated templates bind as predicted.,Ripka AS, Satyshur KA, Bohacek RS, Rich DH Org Lett. 2001 Jul 26;3(15):2309-12. doi: 10.1021/ol016090+. PMID:11463303[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ Ripka AS, Satyshur KA, Bohacek RS, Rich DH. Aspartic protease inhibitors designed from computer-generated templates bind as predicted. Org Lett. 2001 Jul 26;3(15):2309-12. PMID:11463303 doi:10.1021/ol016090+
