AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Integrin alpha-6

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 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We employ our advanced, specialised process to create targeted libraries for protein-protein interfaces.

 Fig. 1. The sreening workflow of Receptor.AI

The approach involves in-depth molecular simulations of the target protein by itself and in complex with its primary partner proteins, paired with ensemble virtual screening that factors in conformational mobility in both the unbound and complex states. The tentative binding pockets are identified at the protein-protein interaction interface and in distant allosteric areas, aiming to capture the full range of mechanisms of action.

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

P23229

UPID:

ITA6_HUMAN

Alternative names:

CD49 antigen-like family member F; VLA-6

Alternative UPACC:

P23229; B2RMU9; B4DG69; B4DKB8; C4AM96; G5E9H1; Q08443; Q0MRC7; Q14646; Q16508; Q53RX7; Q59HB7; Q86VL6; Q9UCT1; Q9UN03

Background:

Integrin alpha-6, also known as CD49 antigen-like family member F or VLA-6, plays a pivotal role in cellular functions by acting as a receptor for laminin in various cell types. It is involved in critical processes such as sperm-egg fusion in oocytes and structural integrity in epithelial cells through its presence in hemidesmosomes. Its interaction with proteins like NRG1, IGF1, and IGF2 is essential for signaling pathways that influence cell behavior.

Therapeutic significance:

The association of Integrin alpha-6 with Epidermolysis bullosa, junctional 6, with pyloric atresia, underscores its therapeutic significance. This severe genodermatosis, characterized by skin fragility and blistering, highlights the critical role of Integrin alpha-6 in skin integrity and development. Understanding the mechanisms by which Integrin alpha-6 functions could lead to novel therapeutic strategies for managing this debilitating condition.

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