AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Integrin alpha-M

Available from Reaxense
Predicted by Alphafold

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

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:

Integrin alpha-M, also known as CD11 antigen-like family member B, plays a pivotal role in the immune system. It facilitates adhesive interactions of monocytes, macrophages, and granulocytes, crucial for pathogen clearance and immune response. As a receptor for various ligands, including the iC3b fragment of the third complement component, fibrinogen, and ICAM1, it mediates uptake of complement-coated particles and regulates neutrophil migration and apoptosis.

Therapeutic significance:

Given its involvement in systemic lupus erythematosus 6, a disorder characterized by autoimmune dysregulation affecting multiple systems, Integrin alpha-M represents a potential target for therapeutic intervention. Understanding its regulatory mechanisms in autoimmune responses could lead to novel treatments for systemic lupus erythematosus and other inflammatory diseases.

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