Fig. 6: Direct engagement by DHA resulted in the inhibition of MCR-1 activity. | Communications Biology

Fig. 6: Direct engagement by DHA resulted in the inhibition of MCR-1 activity.

From: Commercialized artemisinin derivatives combined with colistin protect against critical Gram-negative bacterial infection

Fig. 6

a–e MCR-1 production in E. coli W3110 (pUC19-mcr-1) (a, b), E. coli ZJ487 (c), K. pneumoniae ZJ05 (d) and S. typhimurium HYM2 (e) cocultured with the indicated DHA treatment was determined by western blotting assays. f The root-mean-square deviations (RMSDs) of all the atoms of MCR-1-DHA complex with respect to its initial structure as a function of time. g RMSF of residues of the whole protein in the MCR-1-DHA complex and free MCR-1 during the 40 ns simulation. h Decomposition of the binding energy on a per-residue basis in the MCR-1-dihydroartemisinin complex. i The predicted binding mode of DHA in the MCR-1 binding pocket obtained from MD simulation. j The synergistic activity of DHA (at concentrations ≥4 µg/mL) with colistin for the bacteria harboring MCR-1 mutants was significantly decreased compared with E. coli W3110 (pUC19-mcr-1) (n = 4). *P < 0.05. **P < 0.01.

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