MolGenie is developing and applying novel compound 2D and 3D design technologies aiming to support new drug discovery processes. “Form ever follows function” – this Louis Sullivan principle is our guiding principle for compound design and engineering. Using these rules and based on smart data extraction and our proprietary structure-property-relationship datasets we create intelligent molecules that realize desired functions.

The compound design process includes the following principal stages:

First, the protein binding pocket is identified and a complementary imprint is calculated, holding properties, such as charge, polarizability, etc.

Second, molecules that satisfy the needs of the binding pocket are designed – this includes the selection of intellectual property generating chemistries and building blocks.

Third, molecules that have a good bioavailability, solubility and managed metabolic stability are selected. Furthermore, a broad screening for potential side and off-target effects is performed

To proof the value our technologies, we have selected several high-value “hot” drug targets, aiming at the generation of drug-like and selective small molecules that exhibit a clear structure-activity relationship and have the promise of good tolerability and oral bioavailability.

About the company:

The company was started in Stuttgart, Germany, on February 23, 2021. It offers drug discovery services and develops its own intellectual property for selected biological targets and related diseases focusing on protein-protein interaction modulators.

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