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Fig. 1 | Chemistry Central Journal

Fig. 1

From: Synthesis, antimicrobial activity, pharmacophore modeling and molecular docking studies of new pyrazole-dimedone hybrid architectures

Fig. 1

a Best query displaying pharmacophoric features shared by active lead compounds as colored spheres (cyan for hydrogen bond acceptor function with metal ligator (F1: Acc& ML), pink for hydrogen bond acceptor/donor function with metal ligator (F2: Don, Acc& ML) as well as cyan for hydrophobic region with aromatic centre, hydrogen bond acceptor or metal ligator function (F3: ML/Hyd/Aro/Acc). b Validation of the selected query; mapping of previously reported active compounds 4a and 4n [12] as well as 4a and 4f [13], showing RMSD values in acceptable range (0.2823-0.4993). c Mapping of compound 4k on pharmacophore model. d Mapping of compound 4o on pharmacophore model

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BMC Chemistry

ISSN: 2661-801X

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