Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
2089850 | Journal of Microbiological Methods | 2015 | 10 Pages |
Abstract
•In-silico approach was used to identify drug targets of Listeria monocytogenes strain EGDe.•168 putative targets were identified; of these, 30 were predicted as broad spectrum.•For target PBP4, virtual screening and ADMET filtering identified 10 lead compounds.•Reverse docking against 113 known bacterial targets identified 4 multi-target leads.
We used a combination of in-silico approaches to identify 168 promising drug targets in the proteome of a multidrug-resistant Listeria monocytogenes strain; of these, one (PBP4) was particularly promising. Virtual screening using it, followed by reverse docking, revealed four compounds namely NCI524121, CAP332797, NCI524136 and ZINC00518462 as good multi-target leads.
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Authors
Aditya Narayan Sarangi, Mohtasim Lohani, Rakesh Aggarwal,