Focused On-demand Library for Tumor necrosis factor receptor superfamily member 6

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes extensive molecular simulations of the receptor in its native membrane environment and the ensemble virtual screening accounting for its conformational mobility. In the case of dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets are determined on and between the subunits to cover the whole spectrum of possible mechanisms of action.

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

P25445

UPID:

TNR6_HUMAN

Alternative names:

Apo-1 antigen; Apoptosis-mediating surface antigen FAS; FASLG receptor

Alternative UPACC:

P25445; A9UJX4; B6VNV4; Q14292; Q14293; Q14294; Q14295; Q16652; Q5T9P1; Q5T9P2; Q5T9P3; Q6SSE9

Background:

Tumor necrosis factor receptor superfamily member 6, also known as FAS, plays a pivotal role in regulating programmed cell death and maintaining immune system homeostasis. It acts as a receptor for TNFSF6/FASLG, initiating apoptosis through the recruitment of FADD and caspase-8. This process is crucial for peripheral tolerance and the antigen-stimulated suicide of mature T-cells.

Therapeutic significance:

Autoimmune lymphoproliferative syndrome 1A, a disorder linked to FAS gene variants, highlights the protein's critical role in immune regulation. Understanding FAS's mechanisms offers a pathway to novel treatments for autoimmune diseases and immune system disorders.