Structure-activity modeling for of Staphylococcus aureus FtsZ inhibitors prediction

A computer-aided approach has been used to predict the activity of new antibacterial compounds. In this study, pharmacophore and QSAR models to identify novel FtsZ targeting compounds have been developed. The virtual screening based on the models of proprietary library ASINEX predicted two compounds...

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Bibliographic Details
Main Authors: Iashnaia, M. A., Obydennov, K. L., Kanwugu, O. N., Kalinina, T. A., Glukhareva, T. V.
Format: Conference Proceeding
Language:English
Subjects:
Antibacterial materials
Online Access:Get full text
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Summary:A computer-aided approach has been used to predict the activity of new antibacterial compounds. In this study, pharmacophore and QSAR models to identify novel FtsZ targeting compounds have been developed. The virtual screening based on the models of proprietary library ASINEX predicted two compounds as potential anti-Staphylococcus aureus agents with the capability to bind to FtsZ in the pocket binding located between the C-terminal domain and helix (H7).
ISSN:0094-243X
1551-7616
DOI:10.1063/5.0069449