AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Transportin-2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct 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.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

O14787

UPID:

TNPO2_HUMAN

Alternative names:

Karyopherin beta-2b

Alternative UPACC:

O14787; O14655; Q6IN77

Background:

Transportin-2, also known as Karyopherin beta-2b, is a pivotal protein in cellular mechanics, primarily involved in nuclear protein import as a nuclear transport receptor. It facilitates the docking of importin/substrate complexes to the nuclear pore complex (NPC), enabling their translocation through the pore via an energy-dependent, Ran-mediated mechanism. This process is crucial for maintaining the directional flow of proteins into the nucleus, a balance maintained by the differential distribution of GTP- and GDP-bound forms of Ran across the nuclear and cytoplasmic compartments.

Therapeutic significance:

The association of Transportin-2 with Intellectual developmental disorder with hypotonia, impaired speech, and dysmorphic facies underscores its critical role in neurological development and function. Understanding the molecular mechanisms by which Transportin-2 mutations lead to this disorder could pave the way for targeted therapeutic strategies, offering hope for individuals affected by this condition.

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