Focused On-demand Library for Tectonin beta-propeller repeat-containing protein 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.

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.

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

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.

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

O15040

UPID:

TCPR2_HUMAN

Alternative names:

WD repeat-containing protein KIAA0329/KIAA0297

Alternative UPACC:

O15040; A5PKY3; A6NFY9; A7E2X3; H0YMM9; Q9UEG6

Background:

Tectonin beta-propeller repeat-containing protein 2, also known as WD repeat-containing protein KIAA0329/KIAA0297, is implicated in the regulation of autophagy, a critical cellular process for maintaining homeostasis and cell survival. This protein's structure, characterized by beta-propeller repeats, suggests a role in protein-protein interactions, essential for autophagic processes.

Therapeutic significance:

Linked to Neuropathy, hereditary sensory and autonomic, 9, with developmental delay, this protein's dysfunction highlights its potential as a therapeutic target. Understanding the role of Tectonin beta-propeller repeat-containing protein 2 could open doors to potential therapeutic strategies for treating related neuropathies and developmental disorders.