Small Molecules

Small molecule drug discovery from hit identification to preclinical development

BioNTech Small Molecules offers fully-integrated research services, covering all scientific disciplines for small molecule drug discovery: from hit identification via in silico screening through hit-to-lead and lead optimization to preclinical development

Key to our time- and cost-efficient research services is the seamless integration of our core technology, computational chemistry, into all phases of the drug discovery process. The close interaction of dedicated and experienced teams of computational chemists, medicinal and analytical chemists, biologists, pharmacologists together with experienced project managers is the second source of the high quality of our research services. Our experience is based on more than a decade of internal research and numerous successful collaborations.

Our Research Services

Computational Chemistry

The central element of our computational technology platform is the virtual high-throughput screening method combined with its scoring engine ProPose. Depending on the target in question and the available information, we can thus apply state of the art in silico screening techniques for hit identification and hit validation projects, resulting in highest quality in silico hits within a minimum amount of time. For example, we can apply flexible ligand protein-docking, molecular alignment, or 3D pharmacophore searches to a virtual library of millions of structures within hours. This approach is invaluable for time- and cost-efficient hit identification processes, resulting first-in-qualified in silico hits of e.g. commercial screening compounds, which can then be verified in in vitro assays.

Basis for the screening is either our extensive database of millions of commercially available screening compounds, or virtual libraries of up to several million compounds for de novo syntheses.

We accompany discovery projects at every stage with our services in in silico molecular property predictions, quantitative structure–property relationships (QSPR) and quantitative structure–activity relationship (QSAR) models. Our technology also enables potential binding site/pocket identification on protein surfaces.

Structure based de novo design of peptides is also within our repertoire of proprietary methods. Our proprietary tool PepDesign composes all kinds of peptides (also with non-natural amino acids), thereby opening up a chemical space of billions of sequences.

Medicinal Chemistry

We provide all facets of high-quality medicinal chemistry services: from development and establishment of synthetic routes for given small molecule scaffolds and set-up of systematic specific absorption rate (SAR) evaluations to optimization of physicochemical properties, stability and bioavailability.

Our experienced teams of medicinal chemists will find tailor-made solutions for our customers’ individual tasks within hit validation, hit-to-lead and/or lead optimization phases.

Analytical Services

With our well-established analytical technology platform we provide a wide range of analytical methods to support all steps in the drug discovery process of new chemical entities for high quality medicinal chemistry. State-of-the-art equipment in combination with our highly professional data management by quattro research software enables high throughput in sample analysis.

Our experienced team supports our customers through the drug discovery process, additionally offering bioanalytical services for the estimation of i.a. solubility, permeability, metabolic stability, absorption and bioavailability.

The structure of our research services is adjustable to the customer’s needs, and range from fee-for-service deals to risk-sharing projects.

The structure of our reseach services is adjustable to the customer’s needs, and range from fee-for-service deals to risk-sharing projects.

Contact: Dr. Stefan Tasler, Head of Small Molecules

Tel: +49-89-818-8802-0