Method of inhibiting the growth of helicobacter pylori
AssigneeNational Tsing Hua University
InventorsWEN-CHING WANG, WEN-CHI CHENG, JINN-MOON YANG
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Abstract
The shikimate pathway links metabolism of carbohydrates to biosynthesis of aromatic compounds, which is an attractive target for the rational drug and herbicide design because it is essential in algae, higher plants, bacteria, and fungi, but absent from mammals. Thus, the present invention provides a method of inhibiting the growth of bacteria or fungi, especially Helicobacter pylori, through inhibiting enzymes in the shikimate pathway.
Claims10
A method of inhibiting the growth of plant, bacteria, fungi or parasite of a subject comprising administrating to the subject an effective amount of a compound selected from the group consisting of
A method of identifying a drug candidate to a target protein, comprising
- (a) performing a molecular docking program for computing a molecule comformation and orientation relative to an active site of the target protein and selecting top-rank molecules of docked poses generated by the program,
- (b) generating protein-molecule interacting profiles of the molecules selected from step (a) and identifying conserved interactions and pharmacophore hot spots,
- (c) developing homologous pharmacophore models from the interacting profiles of step (b) for identifying consensus hot spots by superimposing multiple pharmacophore spots,
- (d) rescoring molecules selected from step (a) by both energy-based and homologous pharmacophore methods,
- (e) selecting potential molecules which have the highest scores from the score fitness function based on the apo-form and closed homologous pharmacophore models, and
- (f) identifying inhibition of target protein activity of the potential molecules selected from step (e) by bioassay.
Dependencies are inferred from the claim text.