AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Poliovirus receptor

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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

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.

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

P15151

UPID:

PVR_HUMAN

Alternative names:

Nectin-like protein 5

Alternative UPACC:

P15151; B4DTS9; P15152; Q15267; Q15268; Q96BJ1

Background:

The Poliovirus receptor, also known as Nectin-like protein 5, plays a crucial role in immune defense. It mediates NK cell adhesion, triggering effector functions crucial for the immune response. This protein is pivotal in forming a mature immunological synapse, facilitating adhesion, secretion of lytic granules, and IFN-gamma, which are vital for activated NK cells' cytotoxicity. Additionally, it serves as a receptor for various microbial infections, including poliovirus and Pseudorabies virus, and is involved in mechanisms of immunoevasion by tumor cells.

Therapeutic significance:

Understanding the role of the Poliovirus receptor could open doors to potential therapeutic strategies, particularly in enhancing immune response against tumor cells and microbial infections.

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