AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Gamma-secretase subunit APH-1A

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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 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.

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

Reaxense

upacc

Q96BI3

UPID:

APH1A_HUMAN

Alternative names:

Aph-1alpha; Presenilin-stabilization factor

Alternative UPACC:

Q96BI3; B4DQK0; Q5TB22; Q5TB23; Q969R6; Q9BVG0; Q9Y386

Background:

Gamma-secretase subunit APH-1A, also known as Aph-1alpha and Presenilin-stabilization factor, is a crucial component of the gamma-secretase complex. This complex is an endoprotease that cleaves integral membrane proteins such as Notch receptors and APP, playing a pivotal role in intramembrane processing. APH-1A is essential for the proper assembly and function of the gamma-secretase complex, influencing Notch and Wnt signaling pathways and the regulation of CTNNB1 levels in the cytosol.

Therapeutic significance:

Understanding the role of Gamma-secretase subunit APH-1A could open doors to potential therapeutic strategies. Its involvement in the cleavage of key proteins like Notch and APP positions it as a target for modulating signaling pathways implicated in various diseases.

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