Focused On-demand Libraries - Receptor.AI 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.


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 Reaxense.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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 screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive 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
Receptor.AI
 
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:
Protein inturned plays a critical role in the formation of cilia and embryonic development, acting as a regulator of the apical actin cytoskeleton and basal body positioning. This regulation is essential for proper ciliary microtubule orientation and cell polarity. It also has an indirect effect on hedgehog signaling and functions as a core component of the CPLANE complex, facilitating the recruitment of IFT-A proteins to basal bodies.

THERAPEUTIC SIGNIFICANCE:
Linked to conditions such as Short-rib thoracic dysplasia 20 with polydactyly and digenic Short-rib thoracic dysplasia 7/20 with polydactyly, Protein inturned's involvement in these diseases underscores its potential as a target for therapeutic intervention. Exploring the function of Protein inturned could lead to innovative treatments for ciliopathies and developmental disorders.

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