AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for FAS-associated death domain protein

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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 protein-protein interfaces.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes extensive molecular simulations of the target protein alone and in complex with its most relevant partner proteins, followed by ensemble virtual screening that considers conformational mobility in both free and complex states. Potential binding pockets are examined on the protein-protein interaction interface and in distant allosteric sites to cover all possible mechanisms of action.

Our library distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q13158

UPID:

FADD_HUMAN

Alternative names:

FAS-associating death domain-containing protein; Growth-inhibiting gene 3 protein; Mediator of receptor induced toxicity

Alternative UPACC:

Q13158; Q14866; Q6IBR4

Background:

The FAS-associated death domain protein, also known as FAS-associating death domain-containing protein, Growth-inhibiting gene 3 protein, and Mediator of receptor induced toxicity, plays a crucial role in apoptosis. It recruits caspase-8 or caspase-10 to activated receptors, forming a complex that initiates the cascade of caspases mediating cell death. Additionally, it is involved in antiviral immune responses by positively regulating interferon signaling.

Therapeutic significance:

Linked to a condition characterized by autoimmune features, recurrent fever, encephalopathy, and liver dysfunction, understanding the role of FAS-associated death domain protein could open doors to potential therapeutic strategies. Its involvement in apoptosis and immune response highlights its potential as a target in treating related diseases.

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