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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by 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.


Our high-tech, dedicated method is applied to construct targeted libraries.


 

Fig. 1. The screening 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 stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
Q9Y3C4

UPID:
TPRKB_HUMAN

ALTERNATIVE NAMES:
PRPK-binding protein; TP53RK-binding protein

ALTERNATIVE UPACC:
Q9Y3C4; D6W5H6; Q8IWR6; Q8IWR7; Q9H3K4

BACKGROUND:
EKC/KEOPS complex subunit TPRKB, known alternatively as PRPK-binding protein or TP53RK-binding protein, is integral to the EKC/KEOPS complex. It facilitates the formation of a threonylcarbamoyl group on adenosine at position 37 in tRNAs, a critical step for accurate protein synthesis by ensuring the proper reading of adenine-starting codons.

THERAPEUTIC SIGNIFICANCE:
Given TPRKB's critical role in Galloway-Mowat syndrome 5, a condition marked by early-onset nephrotic syndrome and neurological abnormalities, targeting TPRKB could offer a novel approach to treating this complex disease. Understanding the role of TPRKB could open doors to potential therapeutic strategies.

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