Modeling studies were carried out as described by Drlica et al.52 (link) An initial manual analysis and manipulation of fluoroquinolone-topoisomerase IV cleavage complexes was performed using structures obtained from PBD accession number 2XKK for Acinetobacter baumannii topoisomerase IV21 (link) using WebLab ViewerLight. For computer-aided docking, SYBYL-X 1.3 was used to prepare the 2XKK crystal structure for ligand docking.53 (link) Standard Tripos procedures were followed for SYBYL-X 1.3 (Certara, L.P.).
Sybyl x 1
Manufactured by Certara
SYBYL-X 1.3 is a software tool for molecular modeling and drug discovery. It provides a range of functionalities for the analysis and design of small molecules and proteins. The software includes capabilities for molecular visualization, structure-based drug design, and computational chemistry.
Automatically generated - may contain errors
Lab products found in correlation
1 protocol using sybyl x 1
1
Fluoroquinolone-topoisomerase IV Cleavage Complex Modeling
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