Focused On-demand Libraries - Receptor.AI 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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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.


We utilise our cutting-edge, exclusive workflow to develop focused libraries.


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q5JU69

UPID:
TOR2A_HUMAN

ALTERNATIVE NAMES:
Torsin family 2 member A; Torsin-related protein 1

ALTERNATIVE UPACC:
Q5JU69; A4FU12; A4FU13; Q3ZCN9; Q3ZCP0; Q5JU68; Q66K87; Q6UXW6; Q8NAN5; Q96SL7

BACKGROUND:
Torsin-2A, known alternatively as Torsin family 2 member A or Torsin-related protein 1, is integral to cellular function. This protein's structure and nomenclature underscore its importance within biological frameworks. Although the precise functions of Torsin-2A remain to be fully elucidated, its involvement in cellular mechanisms is undeniable.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Torsin-2A holds the key to unlocking new therapeutic avenues. The protein's complex role within cells suggests that it could be pivotal in the development of innovative treatments, marking a significant step forward in the field of drug discovery.

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