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Fig. 4 | BMC Chemistry

Fig. 4

From: Molecular docking, chemo-informatic properties, alpha-amylase, and lipase inhibition studies of benzodioxol derivatives

Fig. 4

A Docking Solution of the compound 6b inside the binding pocket of alpha-amylase (pdb code: 4w93) in the proximity of residues I235 and E233; forming additional charge-π interactions with H201. Other residues like N298, H299, Y62, and Y151 could also form hydrogen bonds or π-π interactions with the bound inhibitor. B) The interaction map of the compound 6b inside the binding pocket of human pancreatic alpha-amylase (pdb code: 4w93) forming hydrogen bonds with the residue I235; while making and charge-π interactions with H201, and other possible HB and hydrophobic interactions with the surrounding residues; H299 and N298

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