| Autor: |
Natalya I. Vasilevich, Denis N. Kazyulkin, Ilya I. Afanasyev, Elena Aksenova |
| Rok vydání: |
2015 |
| Předmět: |
|
| Zdroj: |
Proceedings of 1st International Electronic Conference on Medicinal Chemistry. |
| DOI: |
10.3390/ecmc-1-a036 |
| Popis: |
Based on the data of compounds known from the literature to be active against various types of Ser/Thr kinases a general pharmachophore model for these types of kinases was developed. Search for the molecules fitting to this pharmacophore among ASINEX proprietary library revealed a number of compounds, which were tested and appeared to possess some activity against such Ser/Thr kinases as Aurora A, Aurora B and Haspin. Our work on optimization of these molecules to Aurora A kinase allowed us to achieve several hits in 3-5 nM range of activity, with rather good selectivity and ADME properties. Thus we showed the possibility of performing the fine-tuning of the general Ser/Thr pharmacophore designed to desired types of kinase to get active and selective compounds. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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