Focused On-demand Library for Integrin alpha-M

Focused On-demand Libraries - Receptor.AI 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.


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


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 for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.


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
Receptor.AI
 
UPACC
P11215

UPID:
ITAM_HUMAN

ALTERNATIVE NAMES:
CD11 antigen-like family member B; CR-3 alpha chain; Cell surface glycoprotein MAC-1 subunit alpha; Leukocyte adhesion receptor MO1; Neutrophil adherence receptor

ALTERNATIVE UPACC:
P11215; Q4VAK0; Q4VAK1; Q4VAK2

BACKGROUND:
The protein Integrin alpha-M, known for its roles in cell adhesion and immune response mediation, is essential for the uptake of pathogens and complement-coated particles. It functions as a receptor for the iC3b fragment, fibrinogen, and ICAM1, playing a key role in neutrophil migration and the activation of TNF primed neutrophils. Its involvement extends to mast cell development and the regulation of microglial superoxide ions production, crucial for neuronal apoptosis during brain development.

THERAPEUTIC SIGNIFICANCE:
Integrin alpha-M's critical role in systemic lupus erythematosus 6, a complex autoimmune disease, underscores its therapeutic potential. Targeting the pathways regulated by Integrin alpha-M could offer new avenues for the treatment of autoimmune and inflammatory conditions, highlighting the importance of further research into its functions and mechanisms.

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