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Medicinal Chemical Facilities

Specialized Chemistry Center (KU SCC)

Institution University of Kansas
Contact Name Jeffrey Aubé, Principal Investigator
Contact Email
Main Website Visit Main Website
Hit Selection and Optimization Services - Analog Synthesis
- Structure-based Drug Design
Other Hit Selection and Optimization Services Capabilities Synthesis Formats Solution-phase Solution-phase using solid-phase reagents or scavengers Solid-phase Synthesis Capabilities Serial Parallel Combinatorial Microwave Analysis, Purification and Compound Management Capabilities High-throughput analytical-scale RP HPLC/photodiode array UV/HRMS High-throughput mass-directed preparative-scale RP HPLC/dual-wavelength UV/LRMS/ELSD Medium-throughput, automated, 5mm tube-based 1H and 13C NMR Compound formatting available in a variety of formats (vials, plates) and solvents Cheminformatics Capabilities Virtual compound library enumeration and screening In silico property calculation, including ADME, toxicology, and metabolic profiling Pharmacophore perception and docking Hit clustering and data mining 1D/2D/3D QSAR including COMFA, COMBINE Center-Driven Project Capabilities Target identification and localization using affinity labeling of probe compounds Yeast three-hybrid systems as tools for identification of protein targets of probe compounds Biological/Medicinal Chemistry Expertise Analog design Anti-infectives Cancer Cell permeation Central nervous system Natural products chemistry Nuclear receptor system Opioids Proteases
Lead Selection and Optimization Services - Custom-Designed Analog Synthesis
Other Lead Selection and Optimization Services
Scale-up Synthetic Capabilities for Hits/Analogs
Can the facility support in silico screening? Yes
Is the facility open to projects not affiliated with host institution? No
Is data collected in this facility publicly available? Varies by project
Additional Comments