AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Integrin alpha-3

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.

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

 Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's 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.

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