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- W2011609861 abstract "A combination of a literature survey, structure-based virtual screening and synthesis of a small library was performed to identify hits to the potential antimycobacterial drug target, glutamine synthetase. The best inhibitor identified from the literature survey was (2S,5R)-2,6-diamino-5-hydroxyhexanoic acid (4, IC50 of 610 ± 15 μM). In the virtual screening 46,400 compounds were docked and subjected to a pharmacophore search. Of these compounds, 29 were purchased and tested in a biological assay, allowing three novel inhibitors containing an aromatic scaffold to be identified. Based on one of the hits from the virtual screening a small library of 15 analogues was synthesized producing four compounds that inhibited glutamine synthetase." @default.
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- W2011609861 date "2008-05-01" @default.
- W2011609861 modified "2023-09-26" @default.
- W2011609861 title "Evaluation of the amino acid binding site of Mycobacterium tuberculosis glutamine synthetase for drug discovery" @default.
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- W2011609861 doi "https://doi.org/10.1016/j.bmc.2008.04.015" @default.
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