Center for Molecular Innovation and Drug Discovery

Design. Create. Innovate.

CHEMCORE

ChemCore offers services to support synthetic chemistry and drug discovery research at Northwestern and externally.  ChemCore’s capabilities include computational, medicinal and synthetic chemistry and purification of compounds, which are all especially valuable in the discovery and early development of effective small-molecule drugs. ChemCore’s dedicated staff of medicinal and computational chemists design and synthesize novel molecules that are suitable for therapeutic development for collaborative projects with physicians and faculty scientists.


Cheminformatics and Molecular Modeling

• High Throughput Virtual Screening (HTVS) of diverse libraries for different therapeutic targets
• Structure Focus Pharmacophore Design, 3D-4D and higher order QSAR Model Building
• Scaffold Hopping and de novo design
• Construction of protein homology models and 3-D analysis
• High level Quantum Mechanical Computations of Small/Drug Molecules
• Method development
• Linux-based multi-node cluster, which is powered by four NVIDIA Tesla K40 GPU accelerator*

*Funding for the GPU Research Cluster was made possible by an Office for Research Equipment Grant.


Medicinal and Synthetic Chemistry

• Hit-to-lead chemistry
• Design and synthesis of novel analogs with improved potency, ADME and IP properties
• Synthesis of small numbers of hypothesis-driven compounds
• Synthesis of reference compounds
• Preparation of fluorescently-tagged molecules
• Biotage Flash Purification System*

*Supported by the Office for Research


Compound Purification – *These services will be discontinued as of August 1*

• Mass-directed analytical-to-preparative (A2Prep) HPLC purification system
• Reverse phase analytical and preparative HPLC systems with absorbance detection and evaporative light scattering detection for non-chromophore containing compounds
• Advanced parallel compound drying systems including a GeneVac HT-4X Plus centrifugal evaporator and a VirTis shelf lyophilizer.