Focused On-demand Library for STAM-binding protein

Details

Focused On-demand Libraries - Receptor.AI 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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
O95630

UPID:
STABP_HUMAN

ALTERNATIVE NAMES:
Associated molecule with the SH3 domain of STAM; Endosome-associated ubiquitin isopeptidase

ALTERNATIVE UPACC:
O95630; B5M0B6; D6W5H7; Q3MJE7

BACKGROUND:
The STAM-binding protein, recognized for its selective cleavage of 'Lys-63'-linked polyubiquitin chains, is integral to various cellular functions such as MYC induction, BMP signaling, and receptor-mediated endocytosis. Its unique ability to antagonize the inhibitory action of SMAD6 and SMAD7 in BMP signaling and its role in efficient EGFR degradation highlight its critical function in cellular homeostasis.

THERAPEUTIC SIGNIFICANCE:
The association of STAM-binding protein with Microcephaly-capillary malformation syndrome underscores its therapeutic potential. By elucidating the mechanisms by which STAM-binding protein influences cellular signaling and endocytosis, novel therapeutic avenues for treating this and potentially other disorders may be discovered.

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