AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Capping protein, Arp2/3 and myosin-I linker protein 2

Available from Reaxense
Predicted by Alphafold

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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 use our state-of-the-art dedicated workflow for designing focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

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

Reaxense

upacc

Q6F5E8

UPID:

CARL2_HUMAN

Alternative names:

Capping protein regulator and myosin 1 linker 2; F-actin-uncapping protein RLTPR; Leucine-rich repeat-containing protein 16C; RGD, leucine-rich repeat, tropomodulin and proline-rich-containing protein

Alternative UPACC:

Q6F5E8; B8X2Z3

Background:

Capping protein, Arp2/3 and myosin-I linker protein 2, known by its alternative names such as F-actin-uncapping protein RLTPR, plays a pivotal role in actin polymerization, cell migration, and T-cell activation. Its involvement in cell protrusion, polarity, and membrane dynamics underscores its significance in cellular functions and immune response.

Therapeutic significance:

Linked to Immunodeficiency 58, a condition characterized by various infectious diseases and impaired immune cell function, this protein's genetic variants highlight its critical role in immune system regulation. Understanding the role of Capping protein, Arp2/3 and myosin-I linker protein 2 could open doors to potential therapeutic strategies for addressing immune deficiencies.

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