Focused On-demand Library for Integrin alpha-M

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 top-notch dedicated system is used to design specialised 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

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.