Focused On-demand Library for Tumor necrosis factor ligand superfamily member 10

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 receptors.

Fig. 1. The sreening workflow of Receptor.AI

The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all 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

P50591

UPID:

TNF10_HUMAN

Alternative names:

Apo-2 ligand; TNF-related apoptosis-inducing ligand

Alternative UPACC:

P50591; A1Y9B3

Background:

Tumor necrosis factor ligand superfamily member 10, also known as Apo-2 ligand or TNF-related apoptosis-inducing ligand, plays a pivotal role in apoptosis. It binds to receptors TNFRSF10A/TRAILR1, TNFRSF10B/TRAILR2, and others, initiating cell death. Its activity is finely regulated by decoy receptors that prevent apoptosis, highlighting a complex regulatory mechanism.

Therapeutic significance:

Understanding the role of Tumor necrosis factor ligand superfamily member 10 could open doors to potential therapeutic strategies. Its ability to selectively induce apoptosis makes it a promising target for cancer therapy, where controlling cell death is crucial.