Focused On-demand Library for CAAX prenyl protease 2

Details

Focused On-demand Libraries - Receptor.AI 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 Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q9Y256

UPID:
FACE2_HUMAN

ALTERNATIVE NAMES:
Farnesylated proteins-converting enzyme 2; Prenyl protein-specific endoprotease 2; RCE1 homolog

ALTERNATIVE UPACC:
Q9Y256; Q52LZ9

BACKGROUND:
The enzyme CAAX prenyl protease 2, with alternative names such as Prenyl protein-specific endoprotease 2, is integral to modifying signaling proteins through the removal of C-terminal residues. This modification is essential for the proper function of proteins like K-Ras and H-Ras, which are involved in crucial cellular signaling pathways.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of CAAX prenyl protease 2 offers a promising avenue for drug discovery. By understanding its role in the post-translational modification of key proteins, researchers can identify novel targets for therapeutic intervention in diseases where these signaling pathways are dysregulated.

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