Focused On-demand Library for Torsin-3A

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

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

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive 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

Q9H497

UPID:

TOR3A_HUMAN

Alternative names:

ATP-dependent interferon-responsive protein; Torsin family 3 member A

Alternative UPACC:

Q9H497; B4DSY0; B7ZB65; Q5M7Y7; Q8WVA7; Q8WWM2; Q9H495; Q9H6E7

Background:

Torsin-3A, also known by its alternative names ATP-dependent interferon-responsive protein and Torsin family 3 member A, represents a pivotal component in cellular processes. Its unique structure and function within the ATPase family highlight its potential role in maintaining cellular homeostasis and responding to interferon signals.

Therapeutic significance:

Understanding the role of Torsin-3A could open doors to potential therapeutic strategies. Its involvement in critical cellular mechanisms suggests that further exploration could unveil novel targets for drug discovery, particularly in diseases where cellular homeostasis and response to interferon are compromised.