Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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.


Our top-notch dedicated system is used to design specialised 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
Q9UBP9

UPID:
GULP1_HUMAN

ALTERNATIVE NAMES:
Cell death protein 6 homolog; PTB domain adapter protein CED-6; Protein GULP

ALTERNATIVE UPACC:
Q9UBP9; B2RB51; B4DQ40; B8ZZ72; D3DPH1; E9PB86; Q53PC1; Q53RF3; Q9BVL3

BACKGROUND:
The protein known by its alternative names, Cell death protein 6 homolog, PTB domain adapter protein CED-6, and Protein GULP, identified by the accession number Q9UBP9, serves multiple cellular functions. It is required for the efficient phagocytosis of apoptotic cells and plays a significant role in modulating the transport of glycosphingolipid and cholesterol. Additionally, it aids in the internalization and trafficking of LRP1 ligands like PSAP and enhances the levels of GTP-bound ARF6 within cells.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of PTB domain-containing engulfment adapter protein 1 unveils potential avenues for therapeutic intervention.

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