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The tumor‐suppressor function of p53 makes it an attractive drug target. Efforts were mostly put on stabilization of the functional p53 or reactivation of mutated p53. Previous studies have shown that small molecules targeting Loop1/Sheet3 (L1/S3) can reactivate the R175H‐p53 and stabilize p53 in vitro. Since the L1/S3 pocket is shared by the mutate and the wild type (WT) p53, virtual screening is...
Cover Picture. In this study, virtual screening is introduced to identify natural products targeting the wild‐type p53 Loop1/Sheet3 pocket. This pocket contains Cys124 site and is reported to be important to stabilize and reactive mutant p53. Considering of the high flexibility of Loop1, ensemble docking method is utilized to obtain druggable conformation of L1/S3 pocket for docking. As one of the...
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