High Throughput Virtual Screening For Inhibitors Of Salmonella typhi’s Dalanine- D-Alanine Ligase A

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dc.contributor.authorTan, Chen Shen
dc.date.accessioned2017-02-28T02:10:08Z
dc.date.available2017-02-28T02:10:08Z
dc.date.issued2015-10
dc.description.abstractIncreasing numbers of multi-resistance Salmonella typhi cases poses a huge threat especially to ongoing typhoid treatments. This turn of event calls for new treatments against Salmonella typhi. The objectives of this study is to identify potential drug targeted protein from Salmonella typhi using high throughput virtual screening, and to understand the inhibition mechanism between ligand and protein. This research looks into the high throughput virtual screening of D-alanine-D-alanine ligase A against the ZINC database for potential inhibitors. D-alanine-D-alanine ligase A is a vital enzyme in the peptidoglycan biosynthesis pathway, and being a non-human homolog, D-alanine-D-alanine ligase A is a good target for inhibition With a series of analytical processes like post-screening analysis, protein-inhibitor interactions via pharmacophore mapping, and ADME/Tox properties validation, the analysis reveals that N-[3-(1H-imidazol-1-yl) propyl]-4-(2-methylbenzoyl)-1H-pyrrole-2- carboxamide (ZINC04025098) is a potential inhibitor for D-alanine-D-alanine ligase A.en_US
dc.identifier.urihttp://hdl.handle.net/123456789/3788
dc.language.isoenen_US
dc.publisherUniversiti Sains Malaysiaen_US
dc.subjectSalmonella typhi cases poses a huge threaten_US
dc.subjectespecially to ongoing typhoid treatments.en_US
dc.titleHigh Throughput Virtual Screening For Inhibitors Of Salmonella typhi’s Dalanine- D-Alanine Ligase Aen_US
dc.typeThesisen_US
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