Focused On-demand Library for Integrin alpha-3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

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

P26006

UPID:

ITA3_HUMAN

Alternative names:

CD49 antigen-like family member C; FRP-2; Galactoprotein B3; VLA-3 subunit alpha

Alternative UPACC:

P26006; A7E246; B7ZM80; B9EGQ1; D3DTX4; D3DTX5

Background:

Integrin alpha-3, also known as CD49 antigen-like family member C, plays a crucial role in cell adhesion and migration by interacting with various extracellular matrix components such as fibronectin and laminin. Its involvement in the formation of invadopodia and matrix degradation underscores its importance in cellular invasion processes.

Therapeutic significance:

The association of Integrin alpha-3 with Epidermolysis bullosa, junctional 7, highlights its potential as a therapeutic target. Understanding the role of Integrin alpha-3 could open doors to potential therapeutic strategies for treating this severe genodermatosis, characterized by skin fragility and serious renal and respiratory complications.