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Fig. 43 | Chemistry Central Journal

Fig. 43

From: Molecular docking studies of coumarin hybrids as potential acetylcholinesterase, butyrylcholinesterase, monoamine oxidase A/B and β-amyloid inhibitors for Alzheimer’s disease

Fig. 43

a Plot showing the absolute incremental variation (from the initial conformations obtained from molecular docking) of the half-sum of distances calculated from the centres of mass of residues W286 and Y341, and the centroid of the coumarin ring of inhibitor C43 over 5 ns MD simulations. b A representative sandwich-like binding conformation of C43 taken after 5 ns MD simulations [52]

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