Focused On-demand Library for Torsin-1A-interacting protein 1

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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

Q5JTV8

UPID:

TOIP1_HUMAN

Alternative names:

Lamin-associated protein 1B

Alternative UPACC:

Q5JTV8; A0A0A0MSK5; A8K630; B0QZ57; Q5JTV6; Q8IZ65; Q9H8Y6; Q9HAJ1; Q9NV52; Q9Y3X5

Background:

Torsin-1A-interacting protein 1, also known as Lamin-associated protein 1B, plays a crucial role in maintaining nuclear membrane integrity. It activates TOR1A and TOR1B ATPase activities, essential for their localization on the nuclear membrane, and interacts with A- and B-type lamins, suggesting a role in the assembly of the nuclear lamina.

Therapeutic significance:

The protein is implicated in Myopathy, autosomal recessive, with rigid spine and distal joint contractures, a condition characterized by muscle weakness, joint contractures, and restricted pulmonary function. Understanding the role of Torsin-1A-interacting protein 1 could open doors to potential therapeutic strategies for this debilitating disease.