AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Integrin alpha-L

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Our library distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

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:

Integrin alpha-L, also known as CD11 antigen-like family member A, plays a pivotal role in immune response mechanisms. This protein facilitates crucial processes such as leukocyte-endothelial cell interaction, cytotoxic T-cell mediated killing, and antibody-dependent killing by granulocytes and monocytes. It is integral to leukocyte adhesion, transmigration, and the generation of lymphoid progenitor cells, underscoring its importance in lymphopoiesis and immune surveillance.

Therapeutic significance:

Understanding the role of Integrin alpha-L could open doors to potential therapeutic strategies. Its involvement in immune cell functions and interactions makes it a promising target for modulating immune responses, potentially leading to breakthroughs in treating inflammatory and autoimmune diseases.

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