Focused On-demand Library for Growth/differentiation factor 5

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.







Alternative names:

Bone morphogenetic protein 14; Cartilage-derived morphogenetic protein 1; Lipopolysaccharide-associated protein 4; Radotermin

Alternative UPACC:

P43026; E1P5Q2; Q96SB1


Growth/differentiation factor 5 (GDF5), also known as Bone morphogenetic protein 14, plays a pivotal role in bone and cartilage formation. It regulates chondrogenic tissue differentiation via two pathways: positively through BMPR1B and BMPR1A interaction, leading to SMAD protein signaling, and negatively through interaction with NOG. Additionally, GDF5 is involved in muscle maintenance upon denervation and mediates LPS-induced inflammatory responses.

Therapeutic significance:

GDF5's involvement in skeletal disorders such as Acromesomelic dysplasia, Brachydactyly, Symphalangism, Multiple synostoses syndrome, and Osteoarthritis highlights its therapeutic potential. Understanding GDF5's role could pave the way for innovative treatments targeting these debilitating conditions, offering hope for affected individuals.

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