Structure/activity virtual screening and in vitro testing of small molecule inhibitors of 8-hydroxy-5-deazaflavin:NADPH oxidoreductase from gut methanogenic bacteria.

smithii , the inhibitory potency generally increasing by approximately 100-fold from β-D-glucose pentaacetate to frangulin A (Table 1 ), with an observed trend consistent with the results of both predictive and binding studies.

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