Section for Organic and Medicinal Chemistry

«With our medicinal chemistry expertise, structure-based design and organic synthesis, we develop new treatment options for patients.»

Prof. Dr. Rainer Riedl, Head of Centre

Areas of expertise

Medicinal Chemistry

Our Medicinal Chemistry activities span from hit identification, through hit to lead development and lead optimization to delivering active pharmaceutical ingredients (APIs) for in vitro and in vivo studies. Our focus is on the development of clinical candidates with our industry partners and includes the structural analysis of the target proteins (and their complexes) and results in the delivery of novel and patentable small organic ligands for clinical trials by using a combination of classical SAR profiling and state of the art fragment-based approaches.

  • structural analysis of the target protein (X-ray analysis of co-crystal structures)
  • NMR binding studies (ligand/protein)
  • fragment-based design of novel ligands
  • effective application of industry standard docking software
  • multi-step organic synthesis of ligands
  • establishment of structure activity relationships (SAR)
  • development of data bank based IT solutions for the information management of chemical and biological data (SAR, inventory, etc.)

Organic Synthesis + Synthetic Methodology

Organic Analysis + Structure Elucidation

We have the expertise and equipment for Analyses and Structure Elucidation of Organic Molecules of both routine in house samples or those of our customers, as well as ongoing research activities in the isolation, identification and optimization of biogenic drug molecules.

Cheminformatics

Research and Business Services

Collaborations

We offer a multitude of possible R & D collaborations. Long term CTI funded research projects are possible as well as mid-term contract research projects. Bachelor and Master Theses complement our research collaborations. 

Medicinal Chemistry

  • collaboration with research based pharmaceutical companies according to our complete set of medicinal chemistry capacities (from structure based design to organic synthesis and the delivery of small molecule clinical drug candidates)
  • consulting in the area of medicinal chemistry and process management for start-up as well as small and mid-sized pharmaceutical companies (computational drug design, establishing screening concepts, development of structure activity relationships, development of clinical candidates, process optimization employing SixSigma process management tools)

Organic Synthesis and Organic Analytics

  • development of multi-step organic synthetic routes employing a vast range of organic procedures, such as organocatalytic and organometallic catalysts
  • evaluation of advanced synthetic techniques such as microreactor and microwave assisted organic syntheses, solid phase syntheses, biocatalytic processes and high pressure transformations 
  • NMR (1H, 13C, 19F, 31P and 2D measurements) and LC-MS measurements
  • preparative HPLC purification

Cheminformatics

  • adaption of our CyBy2 IT-solution as the central tool for your needs regarding data storage and data analysis of chemical and biological data sets

Technologies

Equipment

  • Thermo MSQ Plus UHPLC‐single quadrupole system
  • Liberty Blue Automated Microwave Peptide Synthesizer
  • Bruker AVANCE III HD 500MHz OneBay NMR Spectrometer
  • Waters Xevo-Acquity UPLC-triple quadrupole system
  • Gilson PLC 2020 Purification system
  • LC-MS Agilent Ion Trap XCT
  • Knauer preparative HPLC System: flow rate up to 500 ml/min
  • Ehrfeld and Little Things Factory semi-automatic microreactor synthesis equipment
  • Radleys parallel synthesis equipment
  • ISCO chromatography system
  • GeneVac EZ-2 evaporation system
  • 6-Core workstation equipped with molecular docking software
  • lab reactor LabMax: automatic synthesis (-40 °C to 140 °C)
  • ChemSpeed PSW 1100: automatic peptide synthesis equipment
  • Biotage, MLS System: microwave assisted synthesis equipment
  • Büchi autoclave systems: up to 50 bar and maximum 1 litre
  • industry sized evaporation system Büchi R-220
  • Perkin-Elmer 341 polarimeter, FTIR, GC

Awards

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Networking