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.


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 for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Q96P11

UPID:
NSUN5_HUMAN

ALTERNATIVE NAMES:
NOL1-related protein; NOL1/NOP2/Sun domain family member 5; Williams-Beuren syndrome chromosomal region 20A protein

ALTERNATIVE UPACC:
Q96P11; B3KX04; B4DP79; G3V0G9; Q6ZUI8; Q96HT9; Q9NW70

BACKGROUND:
28S rRNA (cytosine-C(5))-methyltransferase, known for its alternative names such as NOL1-related protein and Williams-Beuren syndrome chromosomal region 20A protein, is pivotal in the methylation of cytosine 3782 in 28S rRNA. This specific methylation process is crucial for the efficient translation of proteins, which is fundamental for the development of the corpus callosum and cerebral cortex, highlighting its significance in cellular and developmental biology.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of 28S rRNA (cytosine-C(5))-methyltransferase unveils new avenues for the development of innovative therapeutic approaches.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.