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.)

Beyond we offer a multitude of possible R & D collaborations:

• 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)

Our activities in the area of Organic Synthesis and Synthetic Methodology are focused around the multi-step syntheses of catalysts and APIs. Our core competence in Organic Synthesis and implementation of computational chemistry allow for a flexible research strategy for catalyst development and drug discovery. This flexible and multi-faceted approach has been applied with great success to the benefit of our industry
partners.

In addition to classical organic synthetic techniques we have invested in advanced organic synthetic technologies such as microwave reactors, microreactors, parallel synthesis abd automated solid phase synthesizers.

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.

The goal of our activities in Cheminformatics is the development of IT solutions for the storage and convenient analysis of large data sets. Those data sets usually arise from medicinal chemistry projects. Here, the analysis of chemical structures in combination with effective and customizable displays of biological data are particularly useful, but large chemical inventory data sets of chemical organizations are also easily handled.

CyBy²: We offer you a adaptation of our CyBy² IT-solution (a structure-based data management tool) as the central tool for your needs regarding data storage and data analysis of chemical and biological data sets.

• 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

• 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

• 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

• Antiprotozoal Structure–Activity Relationships of Synthetic Leucinostatin Derivatives and Elucidation of their Mode of Action / M. Brand, L. Wang, S. Agnello, S. Gazzola, F. M. Gall, L. Raguž, M. Kaiser, R. S. Schmidt, A. Ritschl, J. Jelk, A. Hemphill, P. Mäser, P. Bütikofer, M. Adams, R. Riedl, Angew. Chem. Int. Ed. 2021, 60, 15613.
• Drug Design Inspired by Nature: Crystallographic Detection of an Auto‐Tailored Protease Inhibitor Template / F. M. Gall, D. Hohl, D. Frasson, T. Wermelinger, P. R. E. Mittl, M. Sievers, R. Riedl, Angew. Chem. Int. Ed. 2019, 58, 4051.
• A Structural View on Medicinal Chemistry Strategies against Drug Resistance / S. Agnello, M. Brand, M. F. Chellat, S. Gazzola, R. Riedl, Angew. Chem. Int. Ed. 2019, 58, 3300.
• Pseudouridimycin: The First Nucleoside Analogue That Selectively Inhibits Bacterial RNA Polymerase / M. F. Chellat, R. Riedl, Angew. Chem. Int. Ed. 2017, 56, 13184.
• Targeting Antibiotic Resistance / Chellat, Mathieu; Raguž, Luka; Riedl, Rainer - Angew. Chem. Int. Ed. 2016, 55, 6600-6626; Angew.Chem. 2016, 128, 6710–6738.
• Molecular recognition of the catalytic zinc (II) ion in MMP-13: Structure-based evolution of an allosteric inhibitor to dual binding mode inhibitors with improved lipophilic ligand efficiencies / Fischer, Thomas; Riedl, Rainer - invited article for the Special Issue "Enzyme-Inhibitor Interaction as Examples of Molecular Recognition" Int. J. Mol. Sci. 2016, 17, 314. Front cover story 3/2016.
• Merging Allosteric and Active Site Binding Motifs: De novo Generation of Target Selectivity and Potency via Natural-Product-Derived Fragments / Lanz, Jan; Riedl, Rainer - ChemMedChem. 2015, 10, 451–454. Front cover story 3/2015.