Ligand-based pharmacophore modelling, in silico virtual screening, molecular docking and molecular dynamic simulation study to identify novel Francisella tularensis ParE inhibitors
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DOI: 10.1007/s11696-020-01274-3
Abstract: ParE, a subunit of topoisomerase IV, is involved in the management of DNA topology and validated to be an attractive target for the development of antibacterial agents. Availability of the crystal structure of Francisella tularensis… read more here.
Keywords: tularensis; pare inhibitors; pharmacophore modelling; tularensis pare ... See more keywords
Pharmacophore modeling, atom based 3D-QSAR, molecular docking and molecular dynamics studies on Escherichia coli ParE inhibitors
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DOI: 10.1016/j.compbiolchem.2019.107197
Abstract: ATP dependent ParE enzyme is as an attractive target for the development of antibacterial agents. Atom based 3D-QSAR model AADHR.187 was developed based on the thirty eight Escherichia coli ParE inhibitors. The generated model showed… read more here.
Keywords: coli pare; escherichia coli; atom based; pare inhibitors ... See more keywords
Benzohydrazide and Phenylacetamide Scaffolds: New Putative ParE Inhibitors
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DOI: 10.3389/fbioe.2021.669728
Abstract: Antibacterial resistance (ABR) is a major life-threatening problem worldwide. Rampant dissemination of ABR always exemplified the need for the discovery of novel compounds. However, to circumvent the disease, a molecular target is required, which will… read more here.
Keywords: pare inhibitors; phenylacetamide scaffolds; benzohydrazide phenylacetamide; activity ... See more keywords