Figure 4 | Scientific Reports

Figure 4

From: [1,2,4]triazolo[3,4-b][1,3,4]thiadiazole derivatives as new therapeutic candidates against urease positive microorganisms: design, synthesis, pharmacological evaluations, and in silico studies

Figure 4The alternative text for this image may have been generated using AI.

(a) Jack bean urease structure and the dynamic flap of the active site pocket (red). (b) The open state of the flap (black) in complex with thiourea (c) The comparison of flap distance through simulation time for thiourea (blue) and 6a (red) complexes (d) The closed state of the flap (black) in complex with 6a.

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