| Autor: |
A L, Zakharenko, M V, Sukhanova, S N, Khodyreva, F N, Novikov, V S, Stroĭlov, D K, Nilov, G G, Chilov, V K, Shviadas, O I, Lavrik |
| Rok vydání: |
2011 |
| Předmět: |
|
| Zdroj: |
Molekuliarnaia biologiia. 45(3) |
| ISSN: |
0026-8984 |
| Popis: |
A search for poly(ADP-ribose) polymerase-1 inhibitors by virtual screening of a chemical compound database and a subsequent experimental verification of their activities have been done. It was shown that the most efficient method to predict inhibitory properties implies a combinatorial approach joining molecular docking capabilities with structural filtration. Among more than 300000 database chemicals 9 PARP1 inhibitors were revealed; the most active ones, namely: STK031481, STK056130, and STK265022,--displayed biological effect at a micro-molar concentration (IC50 = 2.0 microM, 1.0 microM and 2.6 microM, respectively). |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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