• Publications
  • Influence
Targeting DnaN for tuberculosis therapy using novel griselimycins
New for old—TB drug development Tuberculosis (TB) is a global health threat for which there is only lengthy drug treatment. Patients need to consume multiple tablets over several months andExpand
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Evidence for C-Cl/C-Br...pi interactions as an important contribution to protein-ligand binding affinity.
Attractive chlorine: Noncovalent interactions between chlorine or bromine atoms and aromatic rings in proteins open up a new method for the manipulation of molecular recognition. Substitution atExpand
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Dog ecology and dog rabies control.
Dog populations, like other populations, depend on the availability of resources (food, water, and shelter). Humans either make available or deliberately withhold resources for varying proportions ofExpand
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Structure and dynamics of synthetic O-glycosylated cyclopeptide in solution determined by NMR spectroscopy and MD calculations
Conformational analysis by NMR spectroscopy and restrained molecular dynamics (MD) of the O-glycosylated cyclic hexapeptide cyclo(D-Pro 1 -Phe 2 -Ala 3 -Ser 4 [O-2-deoxy-D-lactopyranosyl-α-(1-3)]-PheExpand
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Discovery and optimization of a new class of potent and non-chiral indole-3-carboxamide-based renin inhibitors.
Selective inhibition of the aspartyl protease renin has gained attraction as an interesting approach to control hypertension and associated cardiovascular risk factors given its unique position inExpand
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Solid-State and Solution Structure of the Salinomycin−Sodium Complex: Stabilization of Different Conformers for an Ionophore in Different Environments
The conformation of the ionophore−metal complex between salinomycin and sodium was determined in solid state and in solution using X-ray single-crystal structure analysis and a combined approach ofExpand
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Identification and Application of Antitarget Activity Hotspots to Guide Compound Optimization
The optimization of a lead structure to a development candidate often requires removal of undesirable antitarget activities. To this end, we have developed an approach to extract antitarget activityExpand
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