Focused On-demand Library for Transportin-2

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 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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the 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.