| Autor: |
Stuart BG; Univesity of Canterbury, Christchurch, New Zealand., Coxon JM, Morton JD, Abell AD, McDonald DQ, Aitken SG, Jones MA, Bickerstaffe R |
| Jazyk: |
angličtina |
| Zdroj: |
Journal of medicinal chemistry [J Med Chem] 2011 Nov 10; Vol. 54 (21), pp. 7503-22. Date of Electronic Publication: 2011 Oct 10. |
| DOI: |
10.1021/jm200471r |
| Abstrakt: |
Studies of 17 analoges of 3 (SJA6017) in an in silico calpain model are reconciled to measured IC(50) values against ovine calpain. The studies validate the potential of the "model" and criteria established for inhibition as a tool to select structures for synthesis to test as calpain inhibitors. Using this screening methodology of virtual libraries led us to synthesize several inhibitors including macrocycle 33, which in vitro sheep eye lens culture experiments showed to substantially slow opacification. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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