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Design strategy of BRD4−PARP1 dual-targeted inhibitor. (A) Design of virtual composite compound library for BRD4 and PARP1. (B) Virtual screening protocol for the identification of the lead compound 1. (C) Predicted binding modes of compound 1 (brown) with BRD4 (green) [PDB ID: 5UOO] and PARP1 (grey) [PDB ID: 5DS3], compared to RVX-208 and Olaparib (white), respectively.
