AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for TRAF family member-associated NF-kappa-B activator

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

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

Q92844

UPID:

TANK_HUMAN

Alternative names:

TRAF-interacting protein

Alternative UPACC:

Q92844; D3DPB5; Q7Z4J6; Q92885

Background:

The TRAF family member-associated NF-kappa-B activator, also known as TRAF-interacting protein, plays a pivotal role in regulating immune responses and cell survival mechanisms. It is a key adapter protein that influences I-kappa-B-kinase regulation, antiviral innate immunity, and NF-kappaB signaling pathways. Its ability to interact with various proteins such as TBK1, IKBKE, and TRAF2 underscores its multifunctional nature in cellular processes.

Therapeutic significance:

Understanding the role of TRAF family member-associated NF-kappa-B activator could open doors to potential therapeutic strategies. Its involvement in critical signaling pathways offers a promising avenue for developing interventions aimed at modulating immune responses and enhancing cell survival mechanisms.

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