Focused On-demand Library for Coiled-coil and C2 domain-containing protein 2A

Focused On-demand Libraries - Receptor.AI 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.


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

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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
Receptor.AI
 
UPACC
Q9P2K1

UPID:
C2D2A_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q9P2K1; A6ND97; B3FW08; D6RB72; E7EP21; E9PEV5; Q3SYP3; Q9H8A7

BACKGROUND:
The Coiled-coil and C2 domain-containing protein 2A is integral to the formation and function of primary cilia, acting as a barrier within the tectonic-like complex. It is crucial for the sonic hedgehog signaling pathway, a key regulator of developmental processes.

THERAPEUTIC SIGNIFICANCE:
Given its association with a spectrum of genetic disorders, including Meckel syndrome 6 and Retinitis pigmentosa 93, targeting Coiled-coil and C2 domain-containing protein 2A offers a promising avenue for therapeutic intervention. Its critical role in disease pathogenesis makes it a prime candidate for drug discovery efforts.

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