Journal: ChemMedChem

Article Title: Covalent Complex of DNA and Bacterial Topoisomerase: Implications in Antibacterial Drug Development

doi: 10.1002/cmdc.201900721

Figure Lengend Snippet: Figure 2. A) SPR sensorgrams obtained in the selective binding test for

Article Snippet: The experimental SPR sensorgrams were measured using a Biacore T200 instrument and were evaluated using the Biacore T200 evaluation software version 1.0 available in the Biacore Molecular Interaction Shared Resource (BMISR) facility at Georgetown University.

Techniques: Binding Assay

Journal: Journal of Chemical Information and Modeling

Article Title: Active Learning-Guided Hit Optimization for the Leucine-Rich Repeat Kinase 2 WDR Domain Based on In Silico Ligand-Binding Affinities

doi: 10.1021/acs.jcim.5c00588

Figure Lengend Snippet: Experimentally measured binding properties of hit molecules. SPR sensorgrams, fragments (see Figure S2 for full spectra) of NMR spectra of fluorinated compounds (10 μM compound with 0 [black], 20 [red] μM protein), and chemical structures are shown. Solubility and aggregation of compounds as measured by DLS, as well as the set from which each compound was identified, are indicated.

Article Snippet: Eleven hit candidates were advanced to dose–response experiments, eight of which had measurable dissociation constant K D better than 250 μM and acceptable SPR sensorgrams (Chi 2 < 10% R max ; T ( K D ) > 1), with K D values ranging from 18 to 230 μM ( and Table S1 ).

Techniques: Binding Assay, Solubility