Discovery of MurA inhibitors as novel antimicrobials through an integrated computational and experimental approach

F Zhang, J Graham, T Zhai, Y Liu, Z Huang - Antibiotics, 2022 - mdpi.com
The bacterial cell wall is essential for protecting bacteria from the surrounding environment
and maintaining the integrity of bacteria cells. The MurA enzyme, which is an essential
enzyme involved in bacterial cell wall synthesis, could be a good drug target for antibiotics.
Although fosfomycin is used clinically as a MurA inhibitor, resistance to this antibiotic is a
concern. Here we used molecular docking-based virtual screening approaches to identify
potential MurA inhibitors from 1.412 million compounds from three databases. Thirty-three …

[PDF][PDF] Discovery of MurA Inhibitors as Novel Antimicrobials through an Integrated Computational and Experimental Approach. Antibiotics 2022, 11, 528

F Zhang, J Graham, T Zhai, Y Liu, Z Huang - 2022 - academia.edu
The bacterial cell wall is essential for protecting bacteria from the surrounding environment
and maintaining the integrity of bacteria cells. The MurA enzyme, which is an essential
enzyme involved in bacterial cell wall synthesis, could be a good drug target for antibiotics.
Although fosfomycin is used clinically as a MurA inhibitor, resistance to this antibiotic is a
concern. Here we used molecular docking-based virtual screening approaches to identify
potential MurA inhibitors from 1.412 million compounds from three databases. Thirty-three …
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