Focused On-demand Library for Integrin alpha-L

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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.


Our top-notch dedicated system is used to design specialised libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.


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
Receptor.AI
 
UPACC
P20701

UPID:
ITAL_HUMAN

ALTERNATIVE NAMES:
CD11 antigen-like family member A; Leukocyte adhesion glycoprotein LFA-1 alpha chain; Leukocyte function-associated molecule 1 alpha chain

ALTERNATIVE UPACC:
P20701; O43746; Q45H73; Q96HB1; Q9UBC8

BACKGROUND:
The Integrin alpha-L protein, recognized for its receptor functions for ICAM1, ICAM2, ICAM3, and ICAM4, is a cornerstone in immune system regulation. It mediates interactions between leukocytes and endothelial cells, contributing to natural killer cell cytotoxicity and apoptotic neutrophil phagocytosis by macrophages. Its role extends to facilitating leukocyte adhesion and migration, highlighting its significance in immune defense mechanisms.

THERAPEUTIC SIGNIFICANCE:
The exploration of Integrin alpha-L's functionalities illuminates its potential as a therapeutic target. Given its central role in mediating immune responses and cell adhesion processes, targeting this protein could lead to innovative treatments for immune-related disorders, offering new hope for patients with conditions stemming from immune system dysregulation.

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