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Novel PARP-1 Inhibitor Scaffolds Disclosed by a Dynamic Structure-Based Pharmac...
Baptista, Salete J.; Silva, Maria M. C.; Moroni, Elisabetta; Meli, Massimiliano; Colombo, Giorgio; Dinis, Teresa C. P.; Salvador, Jorge A. R.PARP-1 inhibition has been studied over the last decades for the treatment of various diseases. Despite the fact that several molecules act as PARP-1 inhibitors, a reduced number of compounds are used in clinical practice. To identify new compounds with a discriminatory PARP-1 inhibitory function, explicit-solvent molecular dynamics simulations using different inhibitors bound to the PARP-1 catalytic domain wer...
Date: 2017
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Origin: Estudo Geral - Universidade de Coimbra