AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Protein inturned

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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We use our state-of-the-art dedicated workflow for designing focused libraries.

 Fig. 1. The sreening 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

Reaxense

upacc

Q9ULD6

UPID:

INTU_HUMAN

Alternative names:

Inturned planar cell polarity effector homolog; PDZ domain-containing protein 6

Alternative UPACC:

Q9ULD6; A1L4N5; D6RAE6; D6RBT4; Q4W5I8; Q86V55

Background:

The Protein inturned, also known as Inturned planar cell polarity effector homolog and PDZ domain-containing protein 6, is pivotal in ciliogenesis and embryonic development. It orchestrates cilia formation by managing the apical actin cytoskeleton and basal body positioning, crucial for ciliary microtubule orientation and cell polarity. Additionally, it indirectly influences hedgehog signaling and is a core component of the CPLANE complex, aiding in IFT-A protein recruitment to basal bodies.

Therapeutic significance:

Protein inturned is linked to diseases such as Short-rib thoracic dysplasia 20 with polydactyly and Orofaciodigital syndrome 17, highlighting its clinical relevance. Understanding the role of Protein inturned could open doors to potential therapeutic strategies, especially in addressing genetic disorders related to ciliopathies and developmental abnormalities.

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