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- W4251172047 abstract "AKT1 is emerging as a useful target for treating cancer. Herein, we discovered a new set of ligands that inhibit the AKT1, as shown by in vitro binding and cell line studies, using a newly designed virtual screening protocol that combines structure-based pharmacophore and docking screens. Taking together with the biological data, the combination of structure based pharamcophore and docking methods demonstrated reasonable success rate in identifying new inhibitors (60-70%) proving the success of aforementioned approach. A detail analysis of the ligand-protein interactions was performed explaining observed activities.<br>" @default.
- W4251172047 created "2022-05-12" @default.
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- W4251172047 date "2019-01-16" @default.
- W4251172047 modified "2023-10-16" @default.
- W4251172047 title "Discovery of New AKT1 Inhibitors by Combination of In silico Structure Based Virtual Screening Approaches and Biological Evaluations" @default.
- W4251172047 doi "https://doi.org/10.26434/chemrxiv.7591202" @default.
- W4251172047 hasPublicationYear "2019" @default.
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