Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.


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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.


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
O60306

UPID:
AQR_HUMAN

ALTERNATIVE NAMES:
Intron-binding protein of 160 kDa

ALTERNATIVE UPACC:
O60306; A0JP17; A5YKK3; Q2YDX9; Q6IRU8; Q6PIC8

BACKGROUND:
The RNA helicase aquarius, with alternative names including the Intron-binding protein of 160 kDa, is integral to the spliceosome for pre-mRNA splicing. It uniquely contributes to snoRNP biogenesis and the assembly of box C/D small snoRNP, indicating its critical role in RNA maturation. The protein's sequence-independent intron binding and ATP-dependent RNA helicase activity are key for its function in the late stages of splicing.

THERAPEUTIC SIGNIFICANCE:
The exploration of RNA helicase aquarius's function offers a promising avenue for developing novel therapeutic approaches. Given its central role in the critical processes of RNA splicing and processing, targeting this protein could lead to innovative treatments for conditions associated with splicing abnormalities.

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