Focused On-demand Library for F-box only protein 7

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q9Y3I1

UPID:

FBX7_HUMAN

Alternative names:

Alternative UPACC:

Q9Y3I1; B4DNB3; B4DWX5; Q5TGC4; Q5TI86; Q96HM6; Q9UF21; Q9UKT2

Background:

F-box only protein 7 plays a pivotal role in cellular processes by being a part of the SCF E3 ubiquitin-protein ligase complex, which is crucial for the ubiquitination and proteasomal degradation of target proteins. It is involved in cell cycle regulation, cell proliferation, and the maintenance of chromosome stability. This protein is also key in the clearance of damaged mitochondria via selective autophagy, by targeting PRKN to dysfunctional mitochondria, and affects the NF-kappa-B signaling pathway.

Therapeutic significance:

F-box only protein 7 is linked to Parkinson disease 15, a neurodegenerative disorder with parkinsonian and pyramidal signs. Understanding the role of F-box only protein 7 could open doors to potential therapeutic strategies for this condition by targeting its pathway for drug development.