Focused On-demand Library for CAAX prenyl protease 1 homolog

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.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening 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 is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

O75844

UPID:

FACE1_HUMAN

Alternative names:

Farnesylated proteins-converting enzyme 1; Prenyl protein-specific endoprotease 1; Zinc metalloproteinase Ste24 homolog

Alternative UPACC:

O75844; B3KQI7; D3DPU7; Q8NDZ8; Q9UBQ2

Background:

CAAX prenyl protease 1 homolog, also known as Farnesylated proteins-converting enzyme 1, plays a pivotal role in cellular processes by processing lamin A/LMNA and clearing translocons on the endoplasmic reticulum. Its proteolytic activity is essential for the removal of C-terminal residues of farnesylated proteins, impacting various cellular mechanisms.

Therapeutic significance:

Linked to diseases such as Mandibuloacral dysplasia with type B lipodystrophy and Restrictive dermopathy 1, CAAX prenyl protease 1 homolog's understanding could pave the way for novel therapeutic approaches targeting these rare but severe conditions.